AethronPhantom/SSB_Dataset · Datasets at Hugging Face

mp_id stringlengths 4 38	elements listlengths 1 10	atomic_numbers listlengths 1 200	num_atoms int32 1 200	num_elements int32 1 10	fractional_coords listlengths 1 200	lattice dict	spacegroup_number int32 0 230	reduced_formula stringlengths 1 24	tier stringclasses 3 values	is_li_containing bool 2 classes	num_li_atoms int32 0 104 ⌀	band_gap float32 0 17.9 ⌀	energy_above_hull float32 0 9.71 ⌀	formation_energy_per_atom float32 -5.15 8.99 ⌀	is_metal bool 2 classes	source_tags listlengths 1 5 ⌀	source stringclasses 4 values
tar:NOMAD_qcs_U5f2QnAXkSSSEXMPluymbxrS	[ "Si", "Ni", "Gd" ]	[ 64, 64, 64, 64, 64, 64, 64, 64, 14, 14, 14, 14, 28, 28, 28, 28 ]	16	3	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, ...	{ "a": 6.959566116333008, "b": 6.959566116333008, "c": 6.959566116333008, "alpha": 90, "beta": 90, "gamma": 90 }	225	Gd2SiNi	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_550547	[ "Y", "Gd", "Hg" ]	[ 64, 64, 64, 64, 64, 64, 64, 64, 39, 39, 39, 39, 80, 80, 80, 80 ]	16	3	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, ...	{ "a": 7.637045860290527, "b": 7.637045860290527, "c": 7.637045860290527, "alpha": 90, "beta": 90, "gamma": 90 }	225	Gd2YHg	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_550563	[ "Cu", "Nb", "Gd" ]	[ 64, 64, 64, 64, 64, 64, 64, 64, 41, 41, 41, 41, 29, 29, 29, 29 ]	16	3	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, ...	{ "a": 7.136839866638184, "b": 7.136839866638184, "c": 7.136839866638184, "alpha": 90, "beta": 90, "gamma": 90 }	225	Gd2NbCu	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_550574	[ "B", "Ba", "Gd" ]	[ 56, 56, 56, 56, 64, 64, 64, 64, 64, 64, 64, 64, 5, 5, 5, 5 ]	16	3	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], ...	{ "a": 7.293067932128906, "b": 7.293067932128906, "c": 7.293067932128906, "alpha": 90, "beta": 90, "gamma": 90 }	225	BaGd2B	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_550589	[ "Cd", "Gd", "Lu" ]	[ 64, 64, 64, 64, 64, 64, 64, 64, 71, 71, 71, 71, 48, 48, 48, 48 ]	16	3	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, ...	{ "a": 7.611623764038086, "b": 7.611623764038086, "c": 7.611623764038086, "alpha": 90, "beta": 90, "gamma": 90 }	225	Gd2LuCd	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_GnTPOyzVRL2rUyZV7w4BIveatM_3	[ "Sc", "Ge", "Gd" ]	[ 64, 64, 64, 64, 64, 64, 64, 64, 21, 21, 21, 21, 32, 32, 32, 32 ]	16	3	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, ...	{ "a": 7.35866117477417, "b": 7.35866117477417, "c": 7.35866117477417, "alpha": 90, "beta": 90, "gamma": 90 }	225	Gd2ScGe	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_pRAWcqLx2dzBSEcABBkoQao5f1_A	[ "Rh", "Cd", "Gd" ]	[ 64, 64, 64, 64, 64, 64, 64, 64, 48, 48, 48, 48, 45, 45, 45, 45 ]	16	3	[ [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, ...	{ "a": 7.183104038238525, "b": 7.183104038238525, "c": 7.183104038238525, "alpha": 90, "beta": 90, "gamma": 90 }	225	Gd2CdRh	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_550631	[ "Mo", "Gd", "Ac" ]	[ 89, 89, 89, 89, 64, 64, 64, 64, 64, 64, 64, 64, 42, 42, 42, 42 ]	16	3	[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], ...	{ "a": 7.629578113555908, "b": 7.629578113555908, "c": 7.629578113555908, "alpha": 90, "beta": 90, "gamma": 90 }	225	AcGd2Mo	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_92ggHsK5gGHsHTF9-Ax4TcLGmAnx	[ "Sm", "Gd", "Pb" ]	[ 62, 62, 62, 62, 64, 64, 64, 64, 64, 64, 64, 64, 82, 82, 82, 82 ]	16	3	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], ...	{ "a": 7.7689080238342285, "b": 7.7689080238342285, "c": 7.7689080238342285, "alpha": 90, "beta": 90, "gamma": 90 }	225	SmGd2Pb	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_-LVl8EZwZfQqrmiPpor2j0YlA2f6	[ "Nb", "Nd", "Gd" ]	[ 60, 60, 60, 60, 64, 64, 64, 64, 64, 64, 64, 64, 41, 41, 41, 41 ]	16	3	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], ...	{ "a": 7.611297130584717, "b": 7.611297130584717, "c": 7.611297130584717, "alpha": 90, "beta": 90, "gamma": 90 }	225	NdGd2Nb	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_x393t3CLHWgVfKWoPOUUYd2O40SZ	[ "Gd", "Np", "Pu" ]	[ 64, 64, 64, 64, 64, 64, 64, 64, 94, 94, 94, 94, 93, 93, 93, 93 ]	16	3	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, ...	{ "a": 7.799363613128662, "b": 7.799363613128662, "c": 7.799363613128662, "alpha": 90, "beta": 90, "gamma": 90 }	225	Gd2PuNp	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_KhmJ6fL6l1GeXa_qY3mDDK_L2Yyu	[ "Li", "Eu", "Gd" ]	[ 3, 3, 3, 3, 63, 63, 63, 63, 64, 64, 64, 64, 64, 64, 64, 64 ]	16	3	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, ...	{ "a": 7.866095066070557, "b": 7.866095066070557, "c": 7.866095066070557, "alpha": 90, "beta": 90, "gamma": 90 }	225	LiEuGd2	general_inorganic	true	4	null	null	null	null	[ "li" ]	external_cif_tar
tar:NOMAD_p-9V6d-40MJ2omiOm09V4ijsRC1R	[ "Cu", "Ag", "Gd" ]	[ 64, 64, 64, 64, 64, 64, 64, 64, 29, 29, 29, 29, 47, 47, 47, 47 ]	16	3	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, ...	{ "a": 7.13105583190918, "b": 7.13105583190918, "c": 7.13105583190918, "alpha": 90, "beta": 90, "gamma": 90 }	225	Gd2CuAg	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_550745	[ "Gd", "Lu", "Ta" ]	[ 64, 64, 64, 64, 64, 64, 64, 64, 71, 71, 71, 71, 73, 73, 73, 73 ]	16	3	[ [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, ...	{ "a": 7.5258002281188965, "b": 7.5258002281188965, "c": 7.5258002281188965, "alpha": 90, "beta": 90, "gamma": 90 }	225	Gd2LuTa	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_Wdd_JAVRnzs3uz5xLDzH_BhVDJyT	[ "Gd", "Tl", "Pu" ]	[ 64, 64, 64, 64, 64, 64, 64, 64, 94, 94, 94, 94, 81, 81, 81, 81 ]	16	3	[ [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, ...	{ "a": 7.706573963165283, "b": 7.706573963165283, "c": 7.706573963165283, "alpha": 90, "beta": 90, "gamma": 90 }	225	Gd2PuTl	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_550772	[ "Si", "Rh", "Gd" ]	[ 64, 64, 64, 64, 64, 64, 64, 64, 14, 14, 14, 14, 45, 45, 45, 45 ]	16	3	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, ...	{ "a": 7.03730583190918, "b": 7.03730583190918, "c": 7.03730583190918, "alpha": 90, "beta": 90, "gamma": 90 }	225	Gd2SiRh	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_550787	[ "Sr", "Tc", "Pb" ]	[ 38, 38, 38, 38, 43, 43, 43, 43, 43, 43, 43, 43, 82, 82, 82, 82 ]	16	3	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], ...	{ "a": 6.937553882598877, "b": 6.937553882598877, "c": 6.937553882598877, "alpha": 90, "beta": 90, "gamma": 90 }	225	SrTc2Pb	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_550804	[ "Ga", "Tc", "Ba" ]	[ 56, 56, 56, 56, 31, 31, 31, 31, 43, 43, 43, 43, 43, 43, 43, 43 ]	16	3	[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, ...	{ "a": 6.697440147399902, "b": 6.697440147399902, "c": 6.697440147399902, "alpha": 90, "beta": 90, "gamma": 90 }	225	BaGaTc2	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_550836	[ "Al", "Ni", "Tc" ]	[ 13, 13, 13, 13, 43, 43, 43, 43, 43, 43, 43, 43, 28, 28, 28, 28 ]	16	3	[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], ...	{ "a": 5.979681968688965, "b": 5.979681968688965, "c": 5.979681968688965, "alpha": 90, "beta": 90, "gamma": 90 }	225	AlTc2Ni	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_550852	[ "K", "Ga", "Tc" ]	[ 19, 19, 19, 19, 31, 31, 31, 31, 43, 43, 43, 43, 43, 43, 43, 43 ]	16	3	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, ...	{ "a": 6.601064205169678, "b": 6.601064205169678, "c": 6.601064205169678, "alpha": 90, "beta": 90, "gamma": 90 }	225	KGaTc2	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_550864	[ "Ge", "Tc", "Th" ]	[ 90, 90, 90, 90, 43, 43, 43, 43, 43, 43, 43, 43, 32, 32, 32, 32 ]	16	3	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], ...	{ "a": 6.614381790161133, "b": 6.614381790161133, "c": 6.614381790161133, "alpha": 90, "beta": 90, "gamma": 90 }	225	ThTc2Ge	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_550878	[ "Be", "Tc", "Au" ]	[ 4, 4, 4, 4, 43, 43, 43, 43, 43, 43, 43, 43, 79, 79, 79, 79 ]	16	3	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], ...	{ "a": 6.092072010040283, "b": 6.092072010040283, "c": 6.092072010040283, "alpha": 90, "beta": 90, "gamma": 90 }	225	BeTc2Au	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_qBxU7dTQSrKV3xc-2dzc2I5QeOYK	[ "V", "Tc", "Np" ]	[ 93, 93, 93, 93, 23, 23, 23, 23, 43, 43, 43, 43, 43, 43, 43, 43 ]	16	3	[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, ...	{ "a": 6.347519874572754, "b": 6.347519874572754, "c": 6.347519874572754, "alpha": 90, "beta": 90, "gamma": 90 }	225	NpVTc2	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_UyOHXEhgnQi09RU5u1fTw6LGkzGF	[ "Mg", "Tc", "Pm" ]	[ 61, 61, 61, 61, 12, 12, 12, 12, 43, 43, 43, 43, 43, 43, 43, 43 ]	16	3	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, ...	{ "a": 6.657601356506348, "b": 6.657601356506348, "c": 6.657601356506348, "alpha": 90, "beta": 90, "gamma": 90 }	225	PmMgTc2	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_550914	[ "Tc", "Au", "Pu" ]	[ 94, 94, 94, 94, 43, 43, 43, 43, 43, 43, 43, 43, 79, 79, 79, 79 ]	16	3	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], ...	{ "a": 6.482274055480957, "b": 6.482274055480957, "c": 6.482274055480957, "alpha": 90, "beta": 90, "gamma": 90 }	225	PuTc2Au	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_550931	[ "Cu", "Tc", "Pa" ]	[ 91, 91, 91, 91, 29, 29, 29, 29, 43, 43, 43, 43, 43, 43, 43, 43 ]	16	3	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, ...	{ "a": 6.3924479484558105, "b": 6.3924479484558105, "c": 6.3924479484558105, "alpha": 90, "beta": 90, "gamma": 90 }	225	PaCuTc2	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_-USynaWuj0eIlKlanXTm0DrpbKLz	[ "Tc", "Yb", "Ac" ]	[ 89, 89, 89, 89, 70, 70, 70, 70, 43, 43, 43, 43, 43, 43, 43, 43 ]	16	3	[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, ...	{ "a": 6.979432106018066, "b": 6.979432106018066, "c": 6.979432106018066, "alpha": 90, "beta": 90, "gamma": 90 }	225	AcYbTc2	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_550959	[ "Tc", "Te", "W" ]	[ 43, 43, 43, 43, 43, 43, 43, 43, 52, 52, 52, 52, 74, 74, 74, 74 ]	16	3	[ [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, ...	{ "a": 6.405223846435547, "b": 6.405223846435547, "c": 6.405223846435547, "alpha": 90, "beta": 90, "gamma": 90 }	225	Tc2TeW	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_h9jxdRSyKh-muXO4MkamZRcmLZgJ	[ "As", "Tc", "Ac" ]	[ 89, 89, 89, 89, 43, 43, 43, 43, 43, 43, 43, 43, 33, 33, 33, 33 ]	16	3	[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], ...	{ "a": 6.691799640655518, "b": 6.691799640655518, "c": 6.691799640655518, "alpha": 90, "beta": 90, "gamma": 90 }	225	AcTc2As	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_551002	[ "V", "Mo", "Tc" ]	[ 23, 23, 23, 23, 43, 43, 43, 43, 43, 43, 43, 43, 42, 42, 42, 42 ]	16	3	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], ...	{ "a": 6.1294941902160645, "b": 6.1294941902160645, "c": 6.1294941902160645, "alpha": 90, "beta": 90, "gamma": 90 }	225	VTc2Mo	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_kRFjJb1CN-E0MUBhz5G9lq5Oa1wN	[ "Li", "Tc", "Pr" ]	[ 3, 3, 3, 3, 59, 59, 59, 59, 43, 43, 43, 43, 43, 43, 43, 43 ]	16	3	[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, ...	{ "a": 6.576905250549316, "b": 6.576905250549316, "c": 6.576905250549316, "alpha": 90, "beta": 90, "gamma": 90 }	225	LiPrTc2	general_inorganic	true	4	null	null	null	null	[ "li" ]	external_cif_tar
tar:OQMD_551027	[ "B", "Tc", "Re" ]	[ 75, 75, 75, 75, 43, 43, 43, 43, 43, 43, 43, 43, 5, 5, 5, 5 ]	16	3	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], ...	{ "a": 5.926258087158203, "b": 5.926258087158203, "c": 5.926258087158203, "alpha": 90, "beta": 90, "gamma": 90 }	225	ReTc2B	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_67Qc9jLb-aPPS6jcgRI1nJOgCpab	[ "Tc", "Gd", "Au" ]	[ 64, 64, 64, 64, 43, 43, 43, 43, 43, 43, 43, 43, 79, 79, 79, 79 ]	16	3	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], ...	{ "a": 6.561141490936279, "b": 6.561141490936279, "c": 6.561141490936279, "alpha": 90, "beta": 90, "gamma": 90 }	225	GdTc2Au	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
pad-1	[ "H" ]	[ 1 ]	1	1	[ [ 0.47476160526275635, 0.18412825465202332, 0.2761788070201874 ] ]	{ "a": 1.9360198974609375, "b": 1.294816255569458, "c": 1.0858712196350098, "alpha": 90.59869384765625, "beta": 90.56759643554688, "gamma": 90.02159881591797 }	1	H	hard_negative	false	0	null	null	null	null	null	padding

tar:NOMAD_qcs_U5f2QnAXkSSSEXMPluymbxrS

[ "Si", "Ni", "Gd" ]

[ 64, 64, 64, 64, 64, 64, 64, 64, 14, 14, 14, 14, 28, 28, 28, 28 ]

16

3

[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, ...

{ "a": 6.959566116333008, "b": 6.959566116333008, "c": 6.959566116333008, "alpha": 90, "beta": 90, "gamma": 90 }

225

Gd2SiNi

general_inorganic

false

null

external_cif_tar

tar:OQMD_550547

[ "Y", "Gd", "Hg" ]

[ 64, 64, 64, 64, 64, 64, 64, 64, 39, 39, 39, 39, 80, 80, 80, 80 ]

16

3

[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, ...

{ "a": 7.637045860290527, "b": 7.637045860290527, "c": 7.637045860290527, "alpha": 90, "beta": 90, "gamma": 90 }

225

Gd2YHg

general_inorganic

false

null

external_cif_tar

tar:OQMD_550563

[ "Cu", "Nb", "Gd" ]

[ 64, 64, 64, 64, 64, 64, 64, 64, 41, 41, 41, 41, 29, 29, 29, 29 ]

16

3

[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, ...

{ "a": 7.136839866638184, "b": 7.136839866638184, "c": 7.136839866638184, "alpha": 90, "beta": 90, "gamma": 90 }

225

Gd2NbCu

general_inorganic

false

null

external_cif_tar

tar:OQMD_550574

[ "B", "Ba", "Gd" ]

[ 56, 56, 56, 56, 64, 64, 64, 64, 64, 64, 64, 64, 5, 5, 5, 5 ]

16

3

[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], ...

{ "a": 7.293067932128906, "b": 7.293067932128906, "c": 7.293067932128906, "alpha": 90, "beta": 90, "gamma": 90 }

225

BaGd2B

general_inorganic

false

null

external_cif_tar

tar:OQMD_550589

[ "Cd", "Gd", "Lu" ]

[ 64, 64, 64, 64, 64, 64, 64, 64, 71, 71, 71, 71, 48, 48, 48, 48 ]

16

3

[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, ...

{ "a": 7.611623764038086, "b": 7.611623764038086, "c": 7.611623764038086, "alpha": 90, "beta": 90, "gamma": 90 }

225

Gd2LuCd

general_inorganic

false

null

external_cif_tar

tar:NOMAD_GnTPOyzVRL2rUyZV7w4BIveatM_3

[ "Sc", "Ge", "Gd" ]

[ 64, 64, 64, 64, 64, 64, 64, 64, 21, 21, 21, 21, 32, 32, 32, 32 ]

16

3

[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, ...

{ "a": 7.35866117477417, "b": 7.35866117477417, "c": 7.35866117477417, "alpha": 90, "beta": 90, "gamma": 90 }

225

Gd2ScGe

general_inorganic

false

null

external_cif_tar

tar:NOMAD_pRAWcqLx2dzBSEcABBkoQao5f1_A

[ "Rh", "Cd", "Gd" ]

[ 64, 64, 64, 64, 64, 64, 64, 64, 48, 48, 48, 48, 45, 45, 45, 45 ]

16

3

[ [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, ...

{ "a": 7.183104038238525, "b": 7.183104038238525, "c": 7.183104038238525, "alpha": 90, "beta": 90, "gamma": 90 }

225

Gd2CdRh

general_inorganic

false

null

external_cif_tar

tar:OQMD_550631

[ "Mo", "Gd", "Ac" ]

[ 89, 89, 89, 89, 64, 64, 64, 64, 64, 64, 64, 64, 42, 42, 42, 42 ]

16

3

[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], ...

{ "a": 7.629578113555908, "b": 7.629578113555908, "c": 7.629578113555908, "alpha": 90, "beta": 90, "gamma": 90 }

225

AcGd2Mo

general_inorganic

false

null

external_cif_tar

tar:NOMAD_92ggHsK5gGHsHTF9-Ax4TcLGmAnx

[ "Sm", "Gd", "Pb" ]

[ 62, 62, 62, 62, 64, 64, 64, 64, 64, 64, 64, 64, 82, 82, 82, 82 ]

16

3

[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], ...

{ "a": 7.7689080238342285, "b": 7.7689080238342285, "c": 7.7689080238342285, "alpha": 90, "beta": 90, "gamma": 90 }

225

SmGd2Pb

general_inorganic

false

null

external_cif_tar

tar:NOMAD_-LVl8EZwZfQqrmiPpor2j0YlA2f6

[ "Nb", "Nd", "Gd" ]

[ 60, 60, 60, 60, 64, 64, 64, 64, 64, 64, 64, 64, 41, 41, 41, 41 ]

16

3

[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], ...

{ "a": 7.611297130584717, "b": 7.611297130584717, "c": 7.611297130584717, "alpha": 90, "beta": 90, "gamma": 90 }

225

NdGd2Nb

general_inorganic

false

null

external_cif_tar

tar:NOMAD_x393t3CLHWgVfKWoPOUUYd2O40SZ

[ "Gd", "Np", "Pu" ]

[ 64, 64, 64, 64, 64, 64, 64, 64, 94, 94, 94, 94, 93, 93, 93, 93 ]

16

3

[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, ...

{ "a": 7.799363613128662, "b": 7.799363613128662, "c": 7.799363613128662, "alpha": 90, "beta": 90, "gamma": 90 }

225

Gd2PuNp

general_inorganic

false

null

external_cif_tar

tar:NOMAD_KhmJ6fL6l1GeXa_qY3mDDK_L2Yyu

[ "Li", "Eu", "Gd" ]

[ 3, 3, 3, 3, 63, 63, 63, 63, 64, 64, 64, 64, 64, 64, 64, 64 ]

16

3

[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, ...

{ "a": 7.866095066070557, "b": 7.866095066070557, "c": 7.866095066070557, "alpha": 90, "beta": 90, "gamma": 90 }

225

LiEuGd2

general_inorganic

true

4

null

[ "li" ]

external_cif_tar

tar:NOMAD_p-9V6d-40MJ2omiOm09V4ijsRC1R

[ "Cu", "Ag", "Gd" ]

[ 64, 64, 64, 64, 64, 64, 64, 64, 29, 29, 29, 29, 47, 47, 47, 47 ]

16

3

[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, ...

{ "a": 7.13105583190918, "b": 7.13105583190918, "c": 7.13105583190918, "alpha": 90, "beta": 90, "gamma": 90 }

225

Gd2CuAg

general_inorganic

false

null

external_cif_tar

tar:OQMD_550745

[ "Gd", "Lu", "Ta" ]

[ 64, 64, 64, 64, 64, 64, 64, 64, 71, 71, 71, 71, 73, 73, 73, 73 ]

16

3

[ [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, ...

{ "a": 7.5258002281188965, "b": 7.5258002281188965, "c": 7.5258002281188965, "alpha": 90, "beta": 90, "gamma": 90 }

225

Gd2LuTa

general_inorganic

false

null

external_cif_tar

tar:NOMAD_Wdd_JAVRnzs3uz5xLDzH_BhVDJyT

[ "Gd", "Tl", "Pu" ]

[ 64, 64, 64, 64, 64, 64, 64, 64, 94, 94, 94, 94, 81, 81, 81, 81 ]

16

3

[ [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, ...

{ "a": 7.706573963165283, "b": 7.706573963165283, "c": 7.706573963165283, "alpha": 90, "beta": 90, "gamma": 90 }

225

Gd2PuTl

general_inorganic

false

null

external_cif_tar

tar:OQMD_550772

[ "Si", "Rh", "Gd" ]

[ 64, 64, 64, 64, 64, 64, 64, 64, 14, 14, 14, 14, 45, 45, 45, 45 ]

16

3

[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, ...

{ "a": 7.03730583190918, "b": 7.03730583190918, "c": 7.03730583190918, "alpha": 90, "beta": 90, "gamma": 90 }

225

Gd2SiRh

general_inorganic

false

null

external_cif_tar

tar:OQMD_550787

[ "Sr", "Tc", "Pb" ]

[ 38, 38, 38, 38, 43, 43, 43, 43, 43, 43, 43, 43, 82, 82, 82, 82 ]

16

3

[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], ...

{ "a": 6.937553882598877, "b": 6.937553882598877, "c": 6.937553882598877, "alpha": 90, "beta": 90, "gamma": 90 }

225

SrTc2Pb

general_inorganic

false

null

external_cif_tar

tar:OQMD_550804

[ "Ga", "Tc", "Ba" ]

[ 56, 56, 56, 56, 31, 31, 31, 31, 43, 43, 43, 43, 43, 43, 43, 43 ]

16

3

[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, ...

{ "a": 6.697440147399902, "b": 6.697440147399902, "c": 6.697440147399902, "alpha": 90, "beta": 90, "gamma": 90 }

225

BaGaTc2

general_inorganic

false

null

external_cif_tar

tar:OQMD_550836

[ "Al", "Ni", "Tc" ]

[ 13, 13, 13, 13, 43, 43, 43, 43, 43, 43, 43, 43, 28, 28, 28, 28 ]

16

3

[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], ...

{ "a": 5.979681968688965, "b": 5.979681968688965, "c": 5.979681968688965, "alpha": 90, "beta": 90, "gamma": 90 }

225

AlTc2Ni

general_inorganic

false

null

external_cif_tar

tar:OQMD_550852

[ "K", "Ga", "Tc" ]

[ 19, 19, 19, 19, 31, 31, 31, 31, 43, 43, 43, 43, 43, 43, 43, 43 ]

16

3

[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, ...

{ "a": 6.601064205169678, "b": 6.601064205169678, "c": 6.601064205169678, "alpha": 90, "beta": 90, "gamma": 90 }

225

KGaTc2

general_inorganic

false

null

external_cif_tar

tar:OQMD_550864

[ "Ge", "Tc", "Th" ]

[ 90, 90, 90, 90, 43, 43, 43, 43, 43, 43, 43, 43, 32, 32, 32, 32 ]

16

3

[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], ...

{ "a": 6.614381790161133, "b": 6.614381790161133, "c": 6.614381790161133, "alpha": 90, "beta": 90, "gamma": 90 }

225

ThTc2Ge

general_inorganic

false

null

external_cif_tar

tar:OQMD_550878

[ "Be", "Tc", "Au" ]

[ 4, 4, 4, 4, 43, 43, 43, 43, 43, 43, 43, 43, 79, 79, 79, 79 ]

16

3

[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], ...

{ "a": 6.092072010040283, "b": 6.092072010040283, "c": 6.092072010040283, "alpha": 90, "beta": 90, "gamma": 90 }

225

BeTc2Au

general_inorganic

false

null

external_cif_tar

tar:NOMAD_qBxU7dTQSrKV3xc-2dzc2I5QeOYK

[ "V", "Tc", "Np" ]

[ 93, 93, 93, 93, 23, 23, 23, 23, 43, 43, 43, 43, 43, 43, 43, 43 ]

16

3

[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, ...

{ "a": 6.347519874572754, "b": 6.347519874572754, "c": 6.347519874572754, "alpha": 90, "beta": 90, "gamma": 90 }

225

NpVTc2

general_inorganic

false

null

external_cif_tar

tar:NOMAD_UyOHXEhgnQi09RU5u1fTw6LGkzGF

[ "Mg", "Tc", "Pm" ]

[ 61, 61, 61, 61, 12, 12, 12, 12, 43, 43, 43, 43, 43, 43, 43, 43 ]

16

3

[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, ...

{ "a": 6.657601356506348, "b": 6.657601356506348, "c": 6.657601356506348, "alpha": 90, "beta": 90, "gamma": 90 }

225

PmMgTc2

general_inorganic

false

null

external_cif_tar

tar:OQMD_550914

[ "Tc", "Au", "Pu" ]

[ 94, 94, 94, 94, 43, 43, 43, 43, 43, 43, 43, 43, 79, 79, 79, 79 ]

16

3

[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], ...

{ "a": 6.482274055480957, "b": 6.482274055480957, "c": 6.482274055480957, "alpha": 90, "beta": 90, "gamma": 90 }

225

PuTc2Au

general_inorganic

false

null

external_cif_tar

tar:OQMD_550931

[ "Cu", "Tc", "Pa" ]

[ 91, 91, 91, 91, 29, 29, 29, 29, 43, 43, 43, 43, 43, 43, 43, 43 ]

16

3

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{ "a": 6.3924479484558105, "b": 6.3924479484558105, "c": 6.3924479484558105, "alpha": 90, "beta": 90, "gamma": 90 }

225

PaCuTc2

general_inorganic

false

null

external_cif_tar

tar:NOMAD_-USynaWuj0eIlKlanXTm0DrpbKLz

[ "Tc", "Yb", "Ac" ]

[ 89, 89, 89, 89, 70, 70, 70, 70, 43, 43, 43, 43, 43, 43, 43, 43 ]

16

3

[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, ...

{ "a": 6.979432106018066, "b": 6.979432106018066, "c": 6.979432106018066, "alpha": 90, "beta": 90, "gamma": 90 }

225

AcYbTc2

general_inorganic

false

null

external_cif_tar

tar:OQMD_550959

[ "Tc", "Te", "W" ]

[ 43, 43, 43, 43, 43, 43, 43, 43, 52, 52, 52, 52, 74, 74, 74, 74 ]

16

3

[ [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, ...

{ "a": 6.405223846435547, "b": 6.405223846435547, "c": 6.405223846435547, "alpha": 90, "beta": 90, "gamma": 90 }

225

Tc2TeW

general_inorganic

false

null

external_cif_tar

tar:NOMAD_h9jxdRSyKh-muXO4MkamZRcmLZgJ

[ "As", "Tc", "Ac" ]

[ 89, 89, 89, 89, 43, 43, 43, 43, 43, 43, 43, 43, 33, 33, 33, 33 ]

16

3

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{ "a": 6.691799640655518, "b": 6.691799640655518, "c": 6.691799640655518, "alpha": 90, "beta": 90, "gamma": 90 }

225

AcTc2As

general_inorganic

false

null

external_cif_tar

tar:OQMD_551002

[ "V", "Mo", "Tc" ]

[ 23, 23, 23, 23, 43, 43, 43, 43, 43, 43, 43, 43, 42, 42, 42, 42 ]

16

3

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{ "a": 6.1294941902160645, "b": 6.1294941902160645, "c": 6.1294941902160645, "alpha": 90, "beta": 90, "gamma": 90 }

225

VTc2Mo

general_inorganic

false

null

external_cif_tar

tar:NOMAD_kRFjJb1CN-E0MUBhz5G9lq5Oa1wN

[ "Li", "Tc", "Pr" ]

[ 3, 3, 3, 3, 59, 59, 59, 59, 43, 43, 43, 43, 43, 43, 43, 43 ]

16

3

[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, ...

{ "a": 6.576905250549316, "b": 6.576905250549316, "c": 6.576905250549316, "alpha": 90, "beta": 90, "gamma": 90 }

225

LiPrTc2

general_inorganic

true

4

null

[ "li" ]

external_cif_tar

tar:OQMD_551027

[ "B", "Tc", "Re" ]

[ 75, 75, 75, 75, 43, 43, 43, 43, 43, 43, 43, 43, 5, 5, 5, 5 ]

16

3

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{ "a": 5.926258087158203, "b": 5.926258087158203, "c": 5.926258087158203, "alpha": 90, "beta": 90, "gamma": 90 }

225

ReTc2B

general_inorganic

false

null

external_cif_tar

tar:NOMAD_67Qc9jLb-aPPS6jcgRI1nJOgCpab

[ "Tc", "Gd", "Au" ]

[ 64, 64, 64, 64, 43, 43, 43, 43, 43, 43, 43, 43, 79, 79, 79, 79 ]

16

3

[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], ...

{ "a": 6.561141490936279, "b": 6.561141490936279, "c": 6.561141490936279, "alpha": 90, "beta": 90, "gamma": 90 }

225

GdTc2Au

general_inorganic

false

null

external_cif_tar

pad-1

[ "H" ]

[ 1 ]

1

[ [ 0.47476160526275635, 0.18412825465202332, 0.2761788070201874 ] ]

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1

H

hard_negative

false

0

null

padding