Allanatrix/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_R_yZdoRQTJIoqmLGI1wh9lmFReag	[ "C", "Ga" ]	[ 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 6, 6, 6, 6 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 6.266778469085693, "b": 6.266778469085693, "c": 6.266778469085693, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ga3C	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_ntgXekUNDjSiVVXx-bZsSU9EWrPk	[ "Si", "Cs" ]	[ 55, 55, 55, 55, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14 ]	16	2	[ [ 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, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 7.106377601623535, "b": 7.106377601623535, "c": 7.106377601623535, "alpha": 90, "beta": 90, "gamma": 90 }	225	CsSi3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_308725	[ "Zr", "Rh" ]	[ 40, 40, 40, 40, 45, 45, 45, 45, 45, 45, 45, 45, 45, 45, 45, 45 ]	16	2	[ [ 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, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 6.298088073730469, "b": 6.298088073730469, "c": 6.298088073730469, "alpha": 90, "beta": 90, "gamma": 90 }	225	ZrRh3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_308736	[ "Al", "Pr" ]	[ 59, 59, 59, 59, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13 ]	16	2	[ [ 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, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 7.0038299560546875, "b": 7.0038299560546875, "c": 7.0038299560546875, "alpha": 90, "beta": 90, "gamma": 90 }	225	PrAl3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_308754	[ "Cr", "Gd" ]	[ 64, 64, 64, 64, 64, 64, 64, 64, 64, 64, 64, 64, 24, 24, 24, 24 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 7.55935001373291, "b": 7.55935001373291, "c": 7.55935001373291, "alpha": 90, "beta": 90, "gamma": 90 }	225	Gd3Cr	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_308770	[ "Mo", "Dy" ]	[ 66, 66, 66, 66, 42, 42, 42, 42, 42, 42, 42, 42, 42, 42, 42, 42 ]	16	2	[ [ 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, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 6.560530185699463, "b": 6.560530185699463, "c": 6.560530185699463, "alpha": 90, "beta": 90, "gamma": 90 }	225	DyMo3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_308786	[ "As", "Bi" ]	[ 83, 83, 83, 83, 33, 33, 33, 33, 33, 33, 33, 33, 33, 33, 33, 33 ]	16	2	[ [ 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, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 7.054140090942383, "b": 7.054140090942383, "c": 7.054140090942383, "alpha": 90, "beta": 90, "gamma": 90 }	225	BiAs3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_308802	[ "Nb", "Au" ]	[ 41, 41, 41, 41, 41, 41, 41, 41, 41, 41, 41, 41, 79, 79, 79, 79 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 6.590293884277344, "b": 6.590293884277344, "c": 6.590293884277344, "alpha": 90, "beta": 90, "gamma": 90 }	225	Nb3Au	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_308841	[ "In", "Nd" ]	[ 60, 60, 60, 60, 49, 49, 49, 49, 49, 49, 49, 49, 49, 49, 49, 49 ]	16	2	[ [ 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, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 7.442627906799316, "b": 7.442627906799316, "c": 7.442627906799316, "alpha": 90, "beta": 90, "gamma": 90 }	225	NdIn3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_308857	[ "Y", "Rh" ]	[ 39, 39, 39, 39, 39, 39, 39, 39, 39, 39, 39, 39, 45, 45, 45, 45 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 7.316597938537598, "b": 7.316597938537598, "c": 7.316597938537598, "alpha": 90, "beta": 90, "gamma": 90 }	225	Y3Rh	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_308876	[ "Si", "In" ]	[ 49, 49, 49, 49, 49, 49, 49, 49, 49, 49, 49, 49, 14, 14, 14, 14 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 7.306262016296387, "b": 7.306262016296387, "c": 7.306262016296387, "alpha": 90, "beta": 90, "gamma": 90 }	225	In3Si	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_308890	[ "Ta", "Pt" ]	[ 73, 73, 73, 73, 78, 78, 78, 78, 78, 78, 78, 78, 78, 78, 78, 78 ]	16	2	[ [ 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, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 6.314949989318848, "b": 6.314949989318848, "c": 6.314949989318848, "alpha": 90, "beta": 90, "gamma": 90 }	225	TaPt3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_308902	[ "N", "Pr" ]	[ 59, 59, 59, 59, 59, 59, 59, 59, 59, 59, 59, 59, 7, 7, 7, 7 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 7.2602219581604, "b": 7.2602219581604, "c": 7.2602219581604, "alpha": 90, "beta": 90, "gamma": 90 }	225	Pr3N	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_308915	[ "F", "Cl" ]	[ 17, 17, 17, 17, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9 ]	16	2	[ [ 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, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 5.454040050506592, "b": 5.454040050506592, "c": 5.454040050506592, "alpha": 90, "beta": 90, "gamma": 90 }	225	ClF3	general_inorganic	false	null	null	null	null	null	[ "halide" ]	external_cif_tar
tar:OQMD_308933	[ "Fe", "I" ]	[ 26, 26, 26, 26, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53 ]	16	2	[ [ 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, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 7.818875789642334, "b": 7.818875789642334, "c": 7.818875789642334, "alpha": 90, "beta": 90, "gamma": 90 }	225	FeI3	general_inorganic	false	null	null	null	null	null	[ "halide" ]	external_cif_tar
tar:OQMD_308948	[ "Sr", "Gd" ]	[ 38, 38, 38, 38, 38, 38, 38, 38, 38, 38, 38, 38, 64, 64, 64, 64 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 9.002674102783203, "b": 9.002674102783203, "c": 9.002674102783203, "alpha": 90, "beta": 90, "gamma": 90 }	225	Sr3Gd	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_308965	[ "Co", "La" ]	[ 57, 57, 57, 57, 27, 27, 27, 27, 27, 27, 27, 27, 27, 27, 27, 27 ]	16	2	[ [ 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, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 6.26589822769165, "b": 6.26589822769165, "c": 6.26589822769165, "alpha": 90, "beta": 90, "gamma": 90 }	225	LaCo3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_308992	[ "N", "Lu" ]	[ 71, 71, 71, 71, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7 ]	16	2	[ [ 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, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 5.4219160079956055, "b": 5.4219160079956055, "c": 5.4219160079956055, "alpha": 90, "beta": 90, "gamma": 90 }	225	LuN3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_6j6zeqS6ppqaoG6iETqM7xjkNLJg	[ "Na", "Fe" ]	[ 11, 11, 11, 11, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26 ]	16	2	[ [ 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, 0, 0 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0...	{ "a": 5.769057750701904, "b": 5.769057750701904, "c": 5.769057750701904, "alpha": 90, "beta": 90, "gamma": 90 }	225	NaFe3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_bt7WQ3-ZxWGNMaU2j_j7og0e7KGY	[ "F", "Pu" ]	[ 94, 94, 94, 94, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9 ]	16	2	[ [ 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, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 5.637543678283691, "b": 5.637543678283691, "c": 5.637543678283691, "alpha": 90, "beta": 90, "gamma": 90 }	225	PuF3	general_inorganic	false	null	null	null	null	null	[ "halide" ]	external_cif_tar
tar:OQMD_309058	[ "S", "Pr" ]	[ 59, 59, 59, 59, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16 ]	16	2	[ [ 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, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 6.9256439208984375, "b": 6.9256439208984375, "c": 6.9256439208984375, "alpha": 90, "beta": 90, "gamma": 90 }	225	PrS3	general_inorganic	false	null	null	null	null	null	[ "sulfide" ]	external_cif_tar
tar:OQMD_309070	[ "Hf", "Pt" ]	[ 72, 72, 72, 72, 78, 78, 78, 78, 78, 78, 78, 78, 78, 78, 78, 78 ]	16	2	[ [ 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, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 6.386682033538818, "b": 6.386682033538818, "c": 6.386682033538818, "alpha": 90, "beta": 90, "gamma": 90 }	225	HfPt3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_309085	[ "Ge", "Ho" ]	[ 67, 67, 67, 67, 67, 67, 67, 67, 67, 67, 67, 67, 32, 32, 32, 32 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 7.4100022315979, "b": 7.4100022315979, "c": 7.4100022315979, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ho3Ge	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_309101	[ "Ga", "Zr" ]	[ 40, 40, 40, 40, 40, 40, 40, 40, 40, 40, 40, 40, 31, 31, 31, 31 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 6.92326021194458, "b": 6.92326021194458, "c": 6.92326021194458, "alpha": 90, "beta": 90, "gamma": 90 }	225	Zr3Ga	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_309120	[ "C", "Mg" ]	[ 12, 12, 12, 12, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]	16	2	[ [ 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, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 5.272377967834473, "b": 5.272377967834473, "c": 5.272377967834473, "alpha": 90, "beta": 90, "gamma": 90 }	225	MgC3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_309133	[ "Rh", "Pd" ]	[ 46, 46, 46, 46, 46, 46, 46, 46, 46, 46, 46, 46, 45, 45, 45, 45 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 6.143956184387207, "b": 6.143956184387207, "c": 6.143956184387207, "alpha": 90, "beta": 90, "gamma": 90 }	225	Pd3Rh	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_309149	[ "H", "Ga" ]	[ 31, 31, 31, 31, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]	16	2	[ [ 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, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 4.748804092407227, "b": 4.748804092407227, "c": 4.748804092407227, "alpha": 90, "beta": 90, "gamma": 90 }	225	GaH3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_309164	[ "B", "Cl" ]	[ 5, 5, 5, 5, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17 ]	16	2	[ [ 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, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 6.763212203979492, "b": 6.763212203979492, "c": 6.763212203979492, "alpha": 90, "beta": 90, "gamma": 90 }	225	BCl3	general_inorganic	false	null	null	null	null	null	[ "halide" ]	external_cif_tar
tar:OQMD_309180	[ "Se", "Pm" ]	[ 61, 61, 61, 61, 61, 61, 61, 61, 61, 61, 61, 61, 34, 34, 34, 34 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 7.703946113586426, "b": 7.703946113586426, "c": 7.703946113586426, "alpha": 90, "beta": 90, "gamma": 90 }	225	Pm3Se	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_309196	[ "N", "Ho" ]	[ 67, 67, 67, 67, 67, 67, 67, 67, 67, 67, 67, 67, 7, 7, 7, 7 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 7.10453987121582, "b": 7.10453987121582, "c": 7.10453987121582, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ho3N	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_309211	[ "Sc", "Tm" ]	[ 69, 69, 69, 69, 21, 21, 21, 21, 21, 21, 21, 21, 21, 21, 21, 21 ]	16	2	[ [ 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, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 7.2703142166137695, "b": 7.2703142166137695, "c": 7.2703142166137695, "alpha": 90, "beta": 90, "gamma": 90 }	225	TmSc3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_309228	[ "Be", "Cr" ]	[ 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 24, 24, 24, 24 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 5.2839579582214355, "b": 5.2839579582214355, "c": 5.2839579582214355, "alpha": 90, "beta": 90, "gamma": 90 }	225	Be3Cr	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_uw6v5fqT0ZN9XehqGNWBxIaBjF8c	[ "O", "Hg" ]	[ 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 8, 8, 8, 8 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 6.786723613739014, "b": 6.786723613739014, "c": 6.786723613739014, "alpha": 90, "beta": 90, "gamma": 90 }	225	Hg3O	general_inorganic	false	null	null	null	null	null	[ "oxide" ]	external_cif_tar
tar:OQMD_309263	[ "V", "Ba" ]	[ 56, 56, 56, 56, 23, 23, 23, 23, 23, 23, 23, 23, 23, 23, 23, 23 ]	16	2	[ [ 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, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 6.770011901855469, "b": 6.770011901855469, "c": 6.770011901855469, "alpha": 90, "beta": 90, "gamma": 90 }	225	BaV3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_309276	[ "Mn", "Gd" ]	[ 64, 64, 64, 64, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25 ]	16	2	[ [ 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, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 6.061880111694336, "b": 6.061880111694336, "c": 6.061880111694336, "alpha": 90, "beta": 90, "gamma": 90 }	225	GdMn3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_309287	[ "Pm", "Sm" ]	[ 61, 61, 61, 61, 61, 61, 61, 61, 61, 61, 61, 61, 62, 62, 62, 62 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 8.150398254394531, "b": 8.150398254394531, "c": 8.150398254394531, "alpha": 90, "beta": 90, "gamma": 90 }	225	Pm3Sm	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_309307	[ "Sc", "Se" ]	[ 21, 21, 21, 21, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34 ]	16	2	[ [ 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, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 6.865347862243652, "b": 6.865347862243652, "c": 6.865347862243652, "alpha": 90, "beta": 90, "gamma": 90 }	225	ScSe3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_309323	[ "Zr", "Th" ]	[ 90, 90, 90, 90, 90, 90, 90, 90, 90, 90, 90, 90, 40, 40, 40, 40 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 7.810964107513428, "b": 7.810964107513428, "c": 7.810964107513428, "alpha": 90, "beta": 90, "gamma": 90 }	225	Th3Zr	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_309342	[ "Zn", "Ge" ]	[ 30, 30, 30, 30, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32 ]	16	2	[ [ 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, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 6.619100093841553, "b": 6.619100093841553, "c": 6.619100093841553, "alpha": 90, "beta": 90, "gamma": 90 }	225	ZnGe3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_309365	[ "Ti", "I" ]	[ 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 53, 53, 53, 53 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 6.583193778991699, "b": 6.583193778991699, "c": 6.583193778991699, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ti3I	general_inorganic	false	null	null	null	null	null	[ "halide" ]	external_cif_tar
tar:OQMD_309376	[ "Se", "Re" ]	[ 75, 75, 75, 75, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34 ]	16	2	[ [ 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, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 6.5051140785217285, "b": 6.5051140785217285, "c": 6.5051140785217285, "alpha": 90, "beta": 90, "gamma": 90 }	225	ReSe3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_309390	[ "I", "Tl" ]	[ 81, 81, 81, 81, 81, 81, 81, 81, 81, 81, 81, 81, 53, 53, 53, 53 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 7.789680004119873, "b": 7.789680004119873, "c": 7.789680004119873, "alpha": 90, "beta": 90, "gamma": 90 }	225	Tl3I	general_inorganic	false	null	null	null	null	null	[ "halide" ]	external_cif_tar
tar:OQMD_309403	[ "Sc", "Rh" ]	[ 21, 21, 21, 21, 21, 21, 21, 21, 21, 21, 21, 21, 45, 45, 45, 45 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 6.700933933258057, "b": 6.700933933258057, "c": 6.700933933258057, "alpha": 90, "beta": 90, "gamma": 90 }	225	Sc3Rh	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_309419	[ "C", "S" ]	[ 6, 6, 6, 6, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16 ]	16	2	[ [ 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, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 5.975910186767578, "b": 5.975910186767578, "c": 5.975910186767578, "alpha": 90, "beta": 90, "gamma": 90 }	225	CS3	general_inorganic	false	null	null	null	null	null	[ "sulfide" ]	external_cif_tar
tar:OQMD_309436	[ "Eu", "Tl" ]	[ 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 81, 81, 81, 81 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 8.074119567871094, "b": 8.074119567871094, "c": 8.074119567871094, "alpha": 90, "beta": 90, "gamma": 90 }	225	Eu3Tl	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_309451	[ "Na", "I" ]	[ 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 53, 53, 53, 53 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 7.940256118774414, "b": 7.940256118774414, "c": 7.940256118774414, "alpha": 90, "beta": 90, "gamma": 90 }	225	Na3I	general_inorganic	false	null	null	null	null	null	[ "halide" ]	external_cif_tar
tar:OQMD_309481	[ "Ge", "Ba" ]	[ 56, 56, 56, 56, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32 ]	16	2	[ [ 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, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 7.432477951049805, "b": 7.432477951049805, "c": 7.432477951049805, "alpha": 90, "beta": 90, "gamma": 90 }	225	BaGe3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_eLYTj-_pGXgGqAP432O5DSpTqZ0B	[ "F", "As" ]	[ 33, 33, 33, 33, 33, 33, 33, 33, 33, 33, 33, 33, 9, 9, 9, 9 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 6.339019775390625, "b": 6.339019775390625, "c": 6.339019775390625, "alpha": 90, "beta": 90, "gamma": 90 }	225	As3F	general_inorganic	false	null	null	null	null	null	[ "halide" ]	external_cif_tar
tar:OQMD_309508	[ "S", "Tc" ]	[ 43, 43, 43, 43, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16 ]	16	2	[ [ 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, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 6.100912094116211, "b": 6.100912094116211, "c": 6.100912094116211, "alpha": 90, "beta": 90, "gamma": 90 }	225	TcS3	general_inorganic	false	null	null	null	null	null	[ "sulfide" ]	external_cif_tar
tar:OQMD_309517	[ "Ca", "Dy" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 66, 66, 66, 66 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 8.48012638092041, "b": 8.48012638092041, "c": 8.48012638092041, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca3Dy	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_309538	[ "S", "La" ]	[ 57, 57, 57, 57, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16 ]	16	2	[ [ 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, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 6.971814155578613, "b": 6.971814155578613, "c": 6.971814155578613, "alpha": 90, "beta": 90, "gamma": 90 }	225	LaS3	general_inorganic	false	null	null	null	null	null	[ "sulfide" ]	external_cif_tar
tar:OQMD_309551	[ "I", "Eu" ]	[ 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 53, 53, 53, 53 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 8.561366081237793, "b": 8.561366081237793, "c": 8.561366081237793, "alpha": 90, "beta": 90, "gamma": 90 }	225	Eu3I	general_inorganic	false	null	null	null	null	null	[ "halide" ]	external_cif_tar
tar:OQMD_309566	[ "Rb", "Lu" ]	[ 37, 37, 37, 37, 37, 37, 37, 37, 37, 37, 37, 37, 71, 71, 71, 71 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 10.112615585327148, "b": 10.112615585327148, "c": 10.112615585327148, "alpha": 90, "beta": 90, "gamma": 90 }	225	Rb3Lu	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_309583	[ "Tm", "Ir" ]	[ 69, 69, 69, 69, 77, 77, 77, 77, 77, 77, 77, 77, 77, 77, 77, 77 ]	16	2	[ [ 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, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 6.423590183258057, "b": 6.423590183258057, "c": 6.423590183258057, "alpha": 90, "beta": 90, "gamma": 90 }	225	TmIr3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_309601	[ "F", "Eu" ]	[ 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 9, 9, 9, 9 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 7.858272075653076, "b": 7.858272075653076, "c": 7.858272075653076, "alpha": 90, "beta": 90, "gamma": 90 }	225	Eu3F	general_inorganic	false	null	null	null	null	null	[ "halide" ]	external_cif_tar
tar:OQMD_309620	[ "Te", "Cs" ]	[ 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 52, 52, 52, 52 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 9.830089569091797, "b": 9.830089569091797, "c": 9.830089569091797, "alpha": 90, "beta": 90, "gamma": 90 }	225	Cs3Te	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_309634	[ "Si", "Sc" ]	[ 21, 21, 21, 21, 21, 21, 21, 21, 21, 21, 21, 21, 14, 14, 14, 14 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 6.812568187713623, "b": 6.812568187713623, "c": 6.812568187713623, "alpha": 90, "beta": 90, "gamma": 90 }	225	Sc3Si	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_309652	[ "Se", "Y" ]	[ 39, 39, 39, 39, 39, 39, 39, 39, 39, 39, 39, 39, 34, 34, 34, 34 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 7.577899932861328, "b": 7.577899932861328, "c": 7.577899932861328, "alpha": 90, "beta": 90, "gamma": 90 }	225	Y3Se	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_309668	[ "La", "Lu" ]	[ 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 71, 71, 71, 71 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 8.287214279174805, "b": 8.287214279174805, "c": 8.287214279174805, "alpha": 90, "beta": 90, "gamma": 90 }	225	La3Lu	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_309688	[ "Mn", "Tc" ]	[ 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 43, 43, 43, 43 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 5.742393970489502, "b": 5.742393970489502, "c": 5.742393970489502, "alpha": 90, "beta": 90, "gamma": 90 }	225	Mn3Tc	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_309707	[ "Cl", "Ta" ]	[ 73, 73, 73, 73, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17 ]	16	2	[ [ 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, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 6.571581840515137, "b": 6.571581840515137, "c": 6.571581840515137, "alpha": 90, "beta": 90, "gamma": 90 }	225	TaCl3	general_inorganic	false	null	null	null	null	null	[ "halide" ]	external_cif_tar
tar:OQMD_309725	[ "Cl", "Sc" ]	[ 21, 21, 21, 21, 21, 21, 21, 21, 21, 21, 21, 21, 17, 17, 17, 17 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 7.196216106414795, "b": 7.196216106414795, "c": 7.196216106414795, "alpha": 90, "beta": 90, "gamma": 90 }	225	Sc3Cl	general_inorganic	false	null	null	null	null	null	[ "halide" ]	external_cif_tar
tar:OQMD_309742	[ "As", "Cs" ]	[ 55, 55, 55, 55, 33, 33, 33, 33, 33, 33, 33, 33, 33, 33, 33, 33 ]	16	2	[ [ 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, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 7.5075578689575195, "b": 7.5075578689575195, "c": 7.5075578689575195, "alpha": 90, "beta": 90, "gamma": 90 }	225	CsAs3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_309758	[ "F", "P" ]	[ 15, 15, 15, 15, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9 ]	16	2	[ [ 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, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 5.189146041870117, "b": 5.189146041870117, "c": 5.189146041870117, "alpha": 90, "beta": 90, "gamma": 90 }	225	PF3	general_inorganic	false	null	null	null	null	null	[ "halide" ]	external_cif_tar
tar:OQMD_309780	[ "Cu", "Sb" ]	[ 29, 29, 29, 29, 51, 51, 51, 51, 51, 51, 51, 51, 51, 51, 51, 51 ]	16	2	[ [ 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, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 7.235229969024658, "b": 7.235229969024658, "c": 7.235229969024658, "alpha": 90, "beta": 90, "gamma": 90 }	225	CuSb3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_309798	[ "Mo", "Os" ]	[ 42, 42, 42, 42, 42, 42, 42, 42, 42, 42, 42, 42, 76, 76, 76, 76 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 6.267129898071289, "b": 6.267129898071289, "c": 6.267129898071289, "alpha": 90, "beta": 90, "gamma": 90 }	225	Mo3Os	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_309813	[ "K", "Ir" ]	[ 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 77, 77, 77, 77 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 7.913757801055908, "b": 7.913757801055908, "c": 7.913757801055908, "alpha": 90, "beta": 90, "gamma": 90 }	225	K3Ir	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_309827	[ "K", "Pd" ]	[ 19, 19, 19, 19, 46, 46, 46, 46, 46, 46, 46, 46, 46, 46, 46, 46 ]	16	2	[ [ 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, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 6.6946821212768555, "b": 6.6946821212768555, "c": 6.6946821212768555, "alpha": 90, "beta": 90, "gamma": 90 }	225	KPd3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_309841	[ "Eu", "Hg" ]	[ 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 80, 80, 80, 80 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 7.9597859382629395, "b": 7.9597859382629395, "c": 7.9597859382629395, "alpha": 90, "beta": 90, "gamma": 90 }	225	Eu3Hg	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_309856	[ "Cs", "Ta" ]	[ 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 73, 73, 73, 73 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 9.685633659362793, "b": 9.685633659362793, "c": 9.685633659362793, "alpha": 90, "beta": 90, "gamma": 90 }	225	Cs3Ta	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_309869	[ "S", "Re" ]	[ 75, 75, 75, 75, 75, 75, 75, 75, 75, 75, 75, 75, 16, 16, 16, 16 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 6.152842044830322, "b": 6.152842044830322, "c": 6.152842044830322, "alpha": 90, "beta": 90, "gamma": 90 }	225	Re3S	general_inorganic	false	null	null	null	null	null	[ "sulfide" ]	external_cif_tar
tar:OQMD_309883	[ "Rb", "Ta" ]	[ 37, 37, 37, 37, 73, 73, 73, 73, 73, 73, 73, 73, 73, 73, 73, 73 ]	16	2	[ [ 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, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 6.967535972595215, "b": 6.967535972595215, "c": 6.967535972595215, "alpha": 90, "beta": 90, "gamma": 90 }	225	RbTa3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_309908	[ "Ir", "Pb" ]	[ 77, 77, 77, 77, 77, 77, 77, 77, 77, 77, 77, 77, 82, 82, 82, 82 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 6.459352016448975, "b": 6.459352016448975, "c": 6.459352016448975, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ir3Pb	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_309925	[ "Be", "Er" ]	[ 68, 68, 68, 68, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4 ]	16	2	[ [ 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, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 5.967162132263184, "b": 5.967162132263184, "c": 5.967162132263184, "alpha": 90, "beta": 90, "gamma": 90 }	225	ErBe3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_299400	[ "Nb", "Te" ]	[ 41, 41, 41, 41, 52, 52, 52, 52, 52, 52, 52, 52, 52, 52, 52, 52 ]	16	2	[ [ 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, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 7.246002674102783, "b": 7.246002674102783, "c": 7.246002674102783, "alpha": 90, "beta": 90, "gamma": 90 }	225	NbTe3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_309957	[ "Cl", "Hg" ]	[ 80, 80, 80, 80, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17 ]	16	2	[ [ 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, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 7.00474214553833, "b": 7.00474214553833, "c": 7.00474214553833, "alpha": 90, "beta": 90, "gamma": 90 }	225	HgCl3	general_inorganic	false	null	null	null	null	null	[ "halide" ]	external_cif_tar
tar:OQMD_309971	[ "In", "Sb" ]	[ 49, 49, 49, 49, 49, 49, 49, 49, 49, 49, 49, 49, 51, 51, 51, 51 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 7.423543930053711, "b": 7.423543930053711, "c": 7.423543930053711, "alpha": 90, "beta": 90, "gamma": 90 }	225	In3Sb	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_309984	[ "Eu", "Ho" ]	[ 63, 63, 63, 63, 67, 67, 67, 67, 67, 67, 67, 67, 67, 67, 67, 67 ]	16	2	[ [ 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, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 8.06158447265625, "b": 8.06158447265625, "c": 8.06158447265625, "alpha": 90, "beta": 90, "gamma": 90 }	225	EuHo3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_310001	[ "Cl", "Sn" ]	[ 50, 50, 50, 50, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17 ]	16	2	[ [ 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, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 7.094006061553955, "b": 7.094006061553955, "c": 7.094006061553955, "alpha": 90, "beta": 90, "gamma": 90 }	225	SnCl3	general_inorganic	false	null	null	null	null	null	[ "halide" ]	external_cif_tar
tar:OQMD_310018	[ "Si", "Hf" ]	[ 72, 72, 72, 72, 72, 72, 72, 72, 72, 72, 72, 72, 14, 14, 14, 14 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 6.76079797744751, "b": 6.76079797744751, "c": 6.76079797744751, "alpha": 90, "beta": 90, "gamma": 90 }	225	Hf3Si	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_310033	[ "Zn", "Tm" ]	[ 69, 69, 69, 69, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30 ]	16	2	[ [ 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, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 6.467422008514404, "b": 6.467422008514404, "c": 6.467422008514404, "alpha": 90, "beta": 90, "gamma": 90 }	225	TmZn3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_310051	[ "Cr", "Tm" ]	[ 69, 69, 69, 69, 69, 69, 69, 69, 69, 69, 69, 69, 24, 24, 24, 24 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 7.405794143676758, "b": 7.405794143676758, "c": 7.405794143676758, "alpha": 90, "beta": 90, "gamma": 90 }	225	Tm3Cr	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_310066	[ "Cu", "Dy" ]	[ 66, 66, 66, 66, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29 ]	16	2	[ [ 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, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 6.25464391708374, "b": 6.25464391708374, "c": 6.25464391708374, "alpha": 90, "beta": 90, "gamma": 90 }	225	DyCu3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_310078	[ "F", "Cs" ]	[ 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 9, 9, 9, 9 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 9.85870361328125, "b": 9.85870361328125, "c": 9.85870361328125, "alpha": 90, "beta": 90, "gamma": 90 }	225	Cs3F	general_inorganic	false	null	null	null	null	null	[ "halide" ]	external_cif_tar
tar:OQMD_310091	[ "S", "Ti" ]	[ 22, 22, 22, 22, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16 ]	16	2	[ [ 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, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 6.217234134674072, "b": 6.217234134674072, "c": 6.217234134674072, "alpha": 90, "beta": 90, "gamma": 90 }	225	TiS3	general_inorganic	false	null	null	null	null	null	[ "sulfide" ]	external_cif_tar
tar:OQMD_310105	[ "Mo", "Hf" ]	[ 72, 72, 72, 72, 42, 42, 42, 42, 42, 42, 42, 42, 42, 42, 42, 42 ]	16	2	[ [ 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, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 6.43828821182251, "b": 6.43828821182251, "c": 6.43828821182251, "alpha": 90, "beta": 90, "gamma": 90 }	225	HfMo3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_310117	[ "Cd", "I" ]	[ 48, 48, 48, 48, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53 ]	16	2	[ [ 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, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 8.042052268981934, "b": 8.042052268981934, "c": 8.042052268981934, "alpha": 90, "beta": 90, "gamma": 90 }	225	CdI3	general_inorganic	false	null	null	null	null	null	[ "halide" ]	external_cif_tar
tar:OQMD_310148	[ "La", "Dy" ]	[ 57, 57, 57, 57, 66, 66, 66, 66, 66, 66, 66, 66, 66, 66, 66, 66 ]	16	2	[ [ 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, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 8.105106353759766, "b": 8.105106353759766, "c": 8.105106353759766, "alpha": 90, "beta": 90, "gamma": 90 }	225	LaDy3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_310165	[ "Te", "Sm" ]	[ 62, 62, 62, 62, 62, 62, 62, 62, 62, 62, 62, 62, 52, 52, 52, 52 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 7.791306018829346, "b": 7.791306018829346, "c": 7.791306018829346, "alpha": 90, "beta": 90, "gamma": 90 }	225	Sm3Te	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_310180	[ "Cl", "Cr" ]	[ 24, 24, 24, 24, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17 ]	16	2	[ [ 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, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 6.681672096252441, "b": 6.681672096252441, "c": 6.681672096252441, "alpha": 90, "beta": 90, "gamma": 90 }	225	CrCl3	general_inorganic	false	null	null	null	null	null	[ "halide" ]	external_cif_tar
tar:OQMD_310206	[ "Er", "Pt" ]	[ 68, 68, 68, 68, 78, 78, 78, 78, 78, 78, 78, 78, 78, 78, 78, 78 ]	16	2	[ [ 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, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 6.5207839012146, "b": 6.5207839012146, "c": 6.5207839012146, "alpha": 90, "beta": 90, "gamma": 90 }	225	ErPt3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_310222	[ "Ca", "Bi" ]	[ 20, 20, 20, 20, 83, 83, 83, 83, 83, 83, 83, 83, 83, 83, 83, 83 ]	16	2	[ [ 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, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 7.898250102996826, "b": 7.898250102996826, "c": 7.898250102996826, "alpha": 90, "beta": 90, "gamma": 90 }	225	CaBi3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_310239	[ "Dy", "Hf" ]	[ 66, 66, 66, 66, 66, 66, 66, 66, 66, 66, 66, 66, 72, 72, 72, 72 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 7.706387996673584, "b": 7.706387996673584, "c": 7.706387996673584, "alpha": 90, "beta": 90, "gamma": 90 }	225	Dy3Hf	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_pEvH6ngGolphvtsUKlYunJaXdcog	[ "Be", "Pa" ]	[ 91, 91, 91, 91, 91, 91, 91, 91, 91, 91, 91, 91, 4, 4, 4, 4 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 6.9595537185668945, "b": 6.9595537185668945, "c": 6.9595537185668945, "alpha": 90, "beta": 90, "gamma": 90 }	225	Pa3Be	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_310271	[ "V", "Ge" ]	[ 23, 23, 23, 23, 23, 23, 23, 23, 23, 23, 23, 23, 32, 32, 32, 32 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 5.985631942749023, "b": 5.985631942749023, "c": 5.985631942749023, "alpha": 90, "beta": 90, "gamma": 90 }	225	V3Ge	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_310281	[ "Y", "Pb" ]	[ 39, 39, 39, 39, 39, 39, 39, 39, 39, 39, 39, 39, 82, 82, 82, 82 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 7.712912082672119, "b": 7.712912082672119, "c": 7.712912082672119, "alpha": 90, "beta": 90, "gamma": 90 }	225	Y3Pb	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_mQ6rHmKjOySICeZ8LHEOEpgwpKl5	[ "Fe", "Ga" ]	[ 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 26, 26, 26, 26 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 6.16148042678833, "b": 6.16148042678833, "c": 6.16148042678833, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ga3Fe	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_voY0zJkEQ4eR1b1xTWPFuB9vgvAB	[ "Au", "Ac" ]	[ 89, 89, 89, 89, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79 ]	16	2	[ [ 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, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 7.078647613525391, "b": 7.078647613525391, "c": 7.078647613525391, "alpha": 90, "beta": 90, "gamma": 90 }	225	AcAu3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_310327	[ "Y", "Nb" ]	[ 39, 39, 39, 39, 39, 39, 39, 39, 39, 39, 39, 39, 41, 41, 41, 41 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 7.6099419593811035, "b": 7.6099419593811035, "c": 7.6099419593811035, "alpha": 90, "beta": 90, "gamma": 90 }	225	Y3Nb	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_310348	[ "Au", "Hg" ]	[ 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 79, 79, 79, 79 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 6.866569995880127, "b": 6.866569995880127, "c": 6.866569995880127, "alpha": 90, "beta": 90, "gamma": 90 }	225	Hg3Au	general_inorganic	false	null	null	null	null	null	null	external_cif_tar

tar:NOMAD_R_yZdoRQTJIoqmLGI1wh9lmFReag

[ "C", "Ga" ]

[ 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 6, 6, 6, 6 ]

16

2

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

{ "a": 6.266778469085693, "b": 6.266778469085693, "c": 6.266778469085693, "alpha": 90, "beta": 90, "gamma": 90 }

225

Ga3C

general_inorganic

false

null

external_cif_tar

tar:NOMAD_ntgXekUNDjSiVVXx-bZsSU9EWrPk

[ "Si", "Cs" ]

[ 55, 55, 55, 55, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14 ]

16

2

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

{ "a": 7.106377601623535, "b": 7.106377601623535, "c": 7.106377601623535, "alpha": 90, "beta": 90, "gamma": 90 }

225

CsSi3

general_inorganic

false

null

external_cif_tar

tar:OQMD_308725

[ "Zr", "Rh" ]

[ 40, 40, 40, 40, 45, 45, 45, 45, 45, 45, 45, 45, 45, 45, 45, 45 ]

16

2

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

{ "a": 6.298088073730469, "b": 6.298088073730469, "c": 6.298088073730469, "alpha": 90, "beta": 90, "gamma": 90 }

225

ZrRh3

general_inorganic

false

null

external_cif_tar

tar:OQMD_308736

[ "Al", "Pr" ]

[ 59, 59, 59, 59, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13 ]

16

2

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

{ "a": 7.0038299560546875, "b": 7.0038299560546875, "c": 7.0038299560546875, "alpha": 90, "beta": 90, "gamma": 90 }

225

PrAl3

general_inorganic

false

null

external_cif_tar

tar:OQMD_308754

[ "Cr", "Gd" ]

[ 64, 64, 64, 64, 64, 64, 64, 64, 64, 64, 64, 64, 24, 24, 24, 24 ]

16

2

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

{ "a": 7.55935001373291, "b": 7.55935001373291, "c": 7.55935001373291, "alpha": 90, "beta": 90, "gamma": 90 }

225

Gd3Cr

general_inorganic

false

null

external_cif_tar

tar:OQMD_308770

[ "Mo", "Dy" ]

[ 66, 66, 66, 66, 42, 42, 42, 42, 42, 42, 42, 42, 42, 42, 42, 42 ]

16

2

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

{ "a": 6.560530185699463, "b": 6.560530185699463, "c": 6.560530185699463, "alpha": 90, "beta": 90, "gamma": 90 }

225

DyMo3

general_inorganic

false

null

external_cif_tar

tar:OQMD_308786

[ "As", "Bi" ]

[ 83, 83, 83, 83, 33, 33, 33, 33, 33, 33, 33, 33, 33, 33, 33, 33 ]

16

2

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

{ "a": 7.054140090942383, "b": 7.054140090942383, "c": 7.054140090942383, "alpha": 90, "beta": 90, "gamma": 90 }

225

BiAs3

general_inorganic

false

null

external_cif_tar

tar:OQMD_308802

[ "Nb", "Au" ]

[ 41, 41, 41, 41, 41, 41, 41, 41, 41, 41, 41, 41, 79, 79, 79, 79 ]

16

2

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

{ "a": 6.590293884277344, "b": 6.590293884277344, "c": 6.590293884277344, "alpha": 90, "beta": 90, "gamma": 90 }

225

Nb3Au

general_inorganic

false

null

external_cif_tar

tar:OQMD_308841

[ "In", "Nd" ]

[ 60, 60, 60, 60, 49, 49, 49, 49, 49, 49, 49, 49, 49, 49, 49, 49 ]

16

2

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

{ "a": 7.442627906799316, "b": 7.442627906799316, "c": 7.442627906799316, "alpha": 90, "beta": 90, "gamma": 90 }

225

NdIn3

general_inorganic

false

null

external_cif_tar

tar:OQMD_308857

[ "Y", "Rh" ]

[ 39, 39, 39, 39, 39, 39, 39, 39, 39, 39, 39, 39, 45, 45, 45, 45 ]

16

2

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

{ "a": 7.316597938537598, "b": 7.316597938537598, "c": 7.316597938537598, "alpha": 90, "beta": 90, "gamma": 90 }

225

Y3Rh

general_inorganic

false

null

external_cif_tar

tar:OQMD_308876

[ "Si", "In" ]

[ 49, 49, 49, 49, 49, 49, 49, 49, 49, 49, 49, 49, 14, 14, 14, 14 ]

16

2

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

{ "a": 7.306262016296387, "b": 7.306262016296387, "c": 7.306262016296387, "alpha": 90, "beta": 90, "gamma": 90 }

225

In3Si

general_inorganic

false

null

external_cif_tar

tar:OQMD_308890

[ "Ta", "Pt" ]

[ 73, 73, 73, 73, 78, 78, 78, 78, 78, 78, 78, 78, 78, 78, 78, 78 ]

16

2

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

{ "a": 6.314949989318848, "b": 6.314949989318848, "c": 6.314949989318848, "alpha": 90, "beta": 90, "gamma": 90 }

225

TaPt3

general_inorganic

false

null

external_cif_tar

tar:OQMD_308902

[ "N", "Pr" ]

[ 59, 59, 59, 59, 59, 59, 59, 59, 59, 59, 59, 59, 7, 7, 7, 7 ]

16

2

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

{ "a": 7.2602219581604, "b": 7.2602219581604, "c": 7.2602219581604, "alpha": 90, "beta": 90, "gamma": 90 }

225

Pr3N

general_inorganic

false

null

external_cif_tar

tar:OQMD_308915

[ "F", "Cl" ]

[ 17, 17, 17, 17, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9 ]

16

2

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

{ "a": 5.454040050506592, "b": 5.454040050506592, "c": 5.454040050506592, "alpha": 90, "beta": 90, "gamma": 90 }

225

ClF3

general_inorganic

false

null

[ "halide" ]

external_cif_tar

tar:OQMD_308933

[ "Fe", "I" ]

[ 26, 26, 26, 26, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53 ]

16

2

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

{ "a": 7.818875789642334, "b": 7.818875789642334, "c": 7.818875789642334, "alpha": 90, "beta": 90, "gamma": 90 }

225

FeI3

general_inorganic

false

null

[ "halide" ]

external_cif_tar

tar:OQMD_308948

[ "Sr", "Gd" ]

[ 38, 38, 38, 38, 38, 38, 38, 38, 38, 38, 38, 38, 64, 64, 64, 64 ]

16

2

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

{ "a": 9.002674102783203, "b": 9.002674102783203, "c": 9.002674102783203, "alpha": 90, "beta": 90, "gamma": 90 }

225

Sr3Gd

general_inorganic

false

null

external_cif_tar

tar:OQMD_308965

[ "Co", "La" ]

[ 57, 57, 57, 57, 27, 27, 27, 27, 27, 27, 27, 27, 27, 27, 27, 27 ]

16

2

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

{ "a": 6.26589822769165, "b": 6.26589822769165, "c": 6.26589822769165, "alpha": 90, "beta": 90, "gamma": 90 }

225

LaCo3

general_inorganic

false

null

external_cif_tar

tar:OQMD_308992

[ "N", "Lu" ]

[ 71, 71, 71, 71, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7 ]

16

2

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

{ "a": 5.4219160079956055, "b": 5.4219160079956055, "c": 5.4219160079956055, "alpha": 90, "beta": 90, "gamma": 90 }

225

LuN3

general_inorganic

false

null

external_cif_tar

tar:NOMAD_6j6zeqS6ppqaoG6iETqM7xjkNLJg

[ "Na", "Fe" ]

[ 11, 11, 11, 11, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26 ]

16

2

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

{ "a": 5.769057750701904, "b": 5.769057750701904, "c": 5.769057750701904, "alpha": 90, "beta": 90, "gamma": 90 }

225

NaFe3

general_inorganic

false

null

external_cif_tar

tar:NOMAD_bt7WQ3-ZxWGNMaU2j_j7og0e7KGY

[ "F", "Pu" ]

[ 94, 94, 94, 94, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9 ]

16

2

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

{ "a": 5.637543678283691, "b": 5.637543678283691, "c": 5.637543678283691, "alpha": 90, "beta": 90, "gamma": 90 }

225

PuF3

general_inorganic

false

null

[ "halide" ]

external_cif_tar

tar:OQMD_309058

[ "S", "Pr" ]

[ 59, 59, 59, 59, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16 ]

16

2

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

{ "a": 6.9256439208984375, "b": 6.9256439208984375, "c": 6.9256439208984375, "alpha": 90, "beta": 90, "gamma": 90 }

225

PrS3

general_inorganic

false

null

[ "sulfide" ]

external_cif_tar

tar:OQMD_309070

[ "Hf", "Pt" ]

[ 72, 72, 72, 72, 78, 78, 78, 78, 78, 78, 78, 78, 78, 78, 78, 78 ]

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225

HfPt3

general_inorganic

false

null

external_cif_tar

tar:OQMD_309085

[ "Ge", "Ho" ]

[ 67, 67, 67, 67, 67, 67, 67, 67, 67, 67, 67, 67, 32, 32, 32, 32 ]

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2

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225

Ho3Ge

general_inorganic

false

null

external_cif_tar

tar:OQMD_309101

[ "Ga", "Zr" ]

[ 40, 40, 40, 40, 40, 40, 40, 40, 40, 40, 40, 40, 31, 31, 31, 31 ]

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2

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225

Zr3Ga

general_inorganic

false

null

external_cif_tar

tar:OQMD_309120

[ "C", "Mg" ]

[ 12, 12, 12, 12, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]

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2

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225

MgC3

general_inorganic

false

null

external_cif_tar

tar:OQMD_309133

[ "Rh", "Pd" ]

[ 46, 46, 46, 46, 46, 46, 46, 46, 46, 46, 46, 46, 45, 45, 45, 45 ]

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2

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225

Pd3Rh

general_inorganic

false

null

external_cif_tar

tar:OQMD_309149

[ "H", "Ga" ]

[ 31, 31, 31, 31, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]

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2

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225

GaH3

general_inorganic

false

null

external_cif_tar

tar:OQMD_309164

[ "B", "Cl" ]

[ 5, 5, 5, 5, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17 ]

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2

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225

BCl3

general_inorganic

false

null

[ "halide" ]

external_cif_tar

tar:OQMD_309180

[ "Se", "Pm" ]

[ 61, 61, 61, 61, 61, 61, 61, 61, 61, 61, 61, 61, 34, 34, 34, 34 ]

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2

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225

Pm3Se

general_inorganic

false

null

external_cif_tar

tar:OQMD_309196

[ "N", "Ho" ]

[ 67, 67, 67, 67, 67, 67, 67, 67, 67, 67, 67, 67, 7, 7, 7, 7 ]

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2

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225

Ho3N

general_inorganic

false

null

external_cif_tar

tar:OQMD_309211

[ "Sc", "Tm" ]

[ 69, 69, 69, 69, 21, 21, 21, 21, 21, 21, 21, 21, 21, 21, 21, 21 ]

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2

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225

TmSc3

general_inorganic

false

null

external_cif_tar

tar:OQMD_309228

[ "Be", "Cr" ]

[ 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 24, 24, 24, 24 ]

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2

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225

Be3Cr

general_inorganic

false

null

external_cif_tar

tar:NOMAD_uw6v5fqT0ZN9XehqGNWBxIaBjF8c

[ "O", "Hg" ]

[ 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 8, 8, 8, 8 ]

16

2

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225

Hg3O

general_inorganic

false

null

[ "oxide" ]

external_cif_tar

tar:OQMD_309263

[ "V", "Ba" ]

[ 56, 56, 56, 56, 23, 23, 23, 23, 23, 23, 23, 23, 23, 23, 23, 23 ]

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2

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225

BaV3

general_inorganic

false

null

external_cif_tar

tar:OQMD_309276

[ "Mn", "Gd" ]

[ 64, 64, 64, 64, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25 ]

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2

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225

GdMn3

general_inorganic

false

null

external_cif_tar

tar:OQMD_309287

[ "Pm", "Sm" ]

[ 61, 61, 61, 61, 61, 61, 61, 61, 61, 61, 61, 61, 62, 62, 62, 62 ]

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2

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225

Pm3Sm

general_inorganic

false

null

external_cif_tar

tar:OQMD_309307

[ "Sc", "Se" ]

[ 21, 21, 21, 21, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34 ]

16

2

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225

ScSe3

general_inorganic

false

null

external_cif_tar

tar:OQMD_309323

[ "Zr", "Th" ]

[ 90, 90, 90, 90, 90, 90, 90, 90, 90, 90, 90, 90, 40, 40, 40, 40 ]

16

2

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225

Th3Zr

general_inorganic

false

null

external_cif_tar

tar:OQMD_309342

[ "Zn", "Ge" ]

[ 30, 30, 30, 30, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32 ]

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2

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225

ZnGe3

general_inorganic

false

null

external_cif_tar

tar:OQMD_309365

[ "Ti", "I" ]

[ 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 53, 53, 53, 53 ]

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2

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225

Ti3I

general_inorganic

false

null

[ "halide" ]

external_cif_tar

tar:OQMD_309376

[ "Se", "Re" ]

[ 75, 75, 75, 75, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34 ]

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2

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225

ReSe3

general_inorganic

false

null

external_cif_tar

tar:OQMD_309390

[ "I", "Tl" ]

[ 81, 81, 81, 81, 81, 81, 81, 81, 81, 81, 81, 81, 53, 53, 53, 53 ]

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2

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225

Tl3I

general_inorganic

false

null

[ "halide" ]

external_cif_tar

tar:OQMD_309403

[ "Sc", "Rh" ]

[ 21, 21, 21, 21, 21, 21, 21, 21, 21, 21, 21, 21, 45, 45, 45, 45 ]

16

2

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225

Sc3Rh

general_inorganic

false

null

external_cif_tar

tar:OQMD_309419

[ "C", "S" ]

[ 6, 6, 6, 6, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16 ]

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2

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225

CS3

general_inorganic

false

null

[ "sulfide" ]

external_cif_tar

tar:OQMD_309436

[ "Eu", "Tl" ]

[ 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 81, 81, 81, 81 ]

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2

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225

Eu3Tl

general_inorganic

false

null

external_cif_tar

tar:OQMD_309451

[ "Na", "I" ]

[ 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 53, 53, 53, 53 ]

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225

Na3I

general_inorganic

false

null

[ "halide" ]

external_cif_tar

tar:OQMD_309481

[ "Ge", "Ba" ]

[ 56, 56, 56, 56, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32 ]

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225

BaGe3

general_inorganic

false

null

external_cif_tar

tar:NOMAD_eLYTj-_pGXgGqAP432O5DSpTqZ0B

[ "F", "As" ]

[ 33, 33, 33, 33, 33, 33, 33, 33, 33, 33, 33, 33, 9, 9, 9, 9 ]

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225

As3F

general_inorganic

false

null

[ "halide" ]

external_cif_tar

tar:OQMD_309508

[ "S", "Tc" ]

[ 43, 43, 43, 43, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16 ]

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225

TcS3

general_inorganic

false

null

[ "sulfide" ]

external_cif_tar

tar:OQMD_309517

[ "Ca", "Dy" ]

[ 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 66, 66, 66, 66 ]

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225

Ca3Dy

general_inorganic

false

null

external_cif_tar

tar:OQMD_309538

[ "S", "La" ]

[ 57, 57, 57, 57, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16 ]

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225

LaS3

general_inorganic

false

null

[ "sulfide" ]

external_cif_tar

tar:OQMD_309551

[ "I", "Eu" ]

[ 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 53, 53, 53, 53 ]

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225

Eu3I

general_inorganic

false

null

[ "halide" ]

external_cif_tar

tar:OQMD_309566

[ "Rb", "Lu" ]

[ 37, 37, 37, 37, 37, 37, 37, 37, 37, 37, 37, 37, 71, 71, 71, 71 ]

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225

Rb3Lu

general_inorganic

false

null

external_cif_tar

tar:OQMD_309583

[ "Tm", "Ir" ]

[ 69, 69, 69, 69, 77, 77, 77, 77, 77, 77, 77, 77, 77, 77, 77, 77 ]

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2

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225

TmIr3

general_inorganic

false

null

external_cif_tar

tar:OQMD_309601

[ "F", "Eu" ]

[ 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 9, 9, 9, 9 ]

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2

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225

Eu3F

general_inorganic

false

null

[ "halide" ]

external_cif_tar

tar:OQMD_309620

[ "Te", "Cs" ]

[ 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 52, 52, 52, 52 ]

16

2

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225

Cs3Te

general_inorganic

false

null

external_cif_tar

tar:OQMD_309634

[ "Si", "Sc" ]

[ 21, 21, 21, 21, 21, 21, 21, 21, 21, 21, 21, 21, 14, 14, 14, 14 ]

16

2

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225

Sc3Si

general_inorganic

false

null

external_cif_tar

tar:OQMD_309652

[ "Se", "Y" ]

[ 39, 39, 39, 39, 39, 39, 39, 39, 39, 39, 39, 39, 34, 34, 34, 34 ]

16

2

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225

Y3Se

general_inorganic

false

null

external_cif_tar

tar:OQMD_309668

[ "La", "Lu" ]

[ 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 71, 71, 71, 71 ]

16

2

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225

La3Lu

general_inorganic

false

null

external_cif_tar

tar:OQMD_309688

[ "Mn", "Tc" ]

[ 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 43, 43, 43, 43 ]

16

2

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{ "a": 5.742393970489502, "b": 5.742393970489502, "c": 5.742393970489502, "alpha": 90, "beta": 90, "gamma": 90 }

225

Mn3Tc

general_inorganic

false

null

external_cif_tar

tar:OQMD_309707

[ "Cl", "Ta" ]

[ 73, 73, 73, 73, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17 ]

16

2

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225

TaCl3

general_inorganic

false

null

[ "halide" ]

external_cif_tar

tar:OQMD_309725

[ "Cl", "Sc" ]

[ 21, 21, 21, 21, 21, 21, 21, 21, 21, 21, 21, 21, 17, 17, 17, 17 ]

16

2

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{ "a": 7.196216106414795, "b": 7.196216106414795, "c": 7.196216106414795, "alpha": 90, "beta": 90, "gamma": 90 }

225

Sc3Cl

general_inorganic

false

null

[ "halide" ]

external_cif_tar

tar:OQMD_309742

[ "As", "Cs" ]

[ 55, 55, 55, 55, 33, 33, 33, 33, 33, 33, 33, 33, 33, 33, 33, 33 ]

16

2

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225

CsAs3

general_inorganic

false

null

external_cif_tar

tar:OQMD_309758

[ "F", "P" ]

[ 15, 15, 15, 15, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9 ]

16

2

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{ "a": 5.189146041870117, "b": 5.189146041870117, "c": 5.189146041870117, "alpha": 90, "beta": 90, "gamma": 90 }

225

PF3

general_inorganic

false

null

[ "halide" ]

external_cif_tar

tar:OQMD_309780

[ "Cu", "Sb" ]

[ 29, 29, 29, 29, 51, 51, 51, 51, 51, 51, 51, 51, 51, 51, 51, 51 ]

16

2

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{ "a": 7.235229969024658, "b": 7.235229969024658, "c": 7.235229969024658, "alpha": 90, "beta": 90, "gamma": 90 }

225

CuSb3

general_inorganic

false

null

external_cif_tar

tar:OQMD_309798

[ "Mo", "Os" ]

[ 42, 42, 42, 42, 42, 42, 42, 42, 42, 42, 42, 42, 76, 76, 76, 76 ]

16

2

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{ "a": 6.267129898071289, "b": 6.267129898071289, "c": 6.267129898071289, "alpha": 90, "beta": 90, "gamma": 90 }

225

Mo3Os

general_inorganic

false

null

external_cif_tar

tar:OQMD_309813

[ "K", "Ir" ]

[ 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 77, 77, 77, 77 ]

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2

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{ "a": 7.913757801055908, "b": 7.913757801055908, "c": 7.913757801055908, "alpha": 90, "beta": 90, "gamma": 90 }

225

K3Ir

general_inorganic

false

null

external_cif_tar

tar:OQMD_309827

[ "K", "Pd" ]

[ 19, 19, 19, 19, 46, 46, 46, 46, 46, 46, 46, 46, 46, 46, 46, 46 ]

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2

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225

KPd3

general_inorganic

false

null

external_cif_tar

tar:OQMD_309841

[ "Eu", "Hg" ]

[ 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 80, 80, 80, 80 ]

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2

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{ "a": 7.9597859382629395, "b": 7.9597859382629395, "c": 7.9597859382629395, "alpha": 90, "beta": 90, "gamma": 90 }

225

Eu3Hg

general_inorganic

false

null

external_cif_tar

tar:OQMD_309856

[ "Cs", "Ta" ]

[ 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 73, 73, 73, 73 ]

16

2

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{ "a": 9.685633659362793, "b": 9.685633659362793, "c": 9.685633659362793, "alpha": 90, "beta": 90, "gamma": 90 }

225

Cs3Ta

general_inorganic

false

null

external_cif_tar

tar:OQMD_309869

[ "S", "Re" ]

[ 75, 75, 75, 75, 75, 75, 75, 75, 75, 75, 75, 75, 16, 16, 16, 16 ]

16

2

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{ "a": 6.152842044830322, "b": 6.152842044830322, "c": 6.152842044830322, "alpha": 90, "beta": 90, "gamma": 90 }

225

Re3S

general_inorganic

false

null

[ "sulfide" ]

external_cif_tar

tar:OQMD_309883

[ "Rb", "Ta" ]

[ 37, 37, 37, 37, 73, 73, 73, 73, 73, 73, 73, 73, 73, 73, 73, 73 ]

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2

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225

RbTa3

general_inorganic

false

null

external_cif_tar

tar:OQMD_309908

[ "Ir", "Pb" ]

[ 77, 77, 77, 77, 77, 77, 77, 77, 77, 77, 77, 77, 82, 82, 82, 82 ]

16

2

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{ "a": 6.459352016448975, "b": 6.459352016448975, "c": 6.459352016448975, "alpha": 90, "beta": 90, "gamma": 90 }

225

Ir3Pb

general_inorganic

false

null

external_cif_tar

tar:OQMD_309925

[ "Be", "Er" ]

[ 68, 68, 68, 68, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4 ]

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2

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225

ErBe3

general_inorganic

false

null

external_cif_tar

tar:OQMD_299400

[ "Nb", "Te" ]

[ 41, 41, 41, 41, 52, 52, 52, 52, 52, 52, 52, 52, 52, 52, 52, 52 ]

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2

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{ "a": 7.246002674102783, "b": 7.246002674102783, "c": 7.246002674102783, "alpha": 90, "beta": 90, "gamma": 90 }

225

NbTe3

general_inorganic

false

null

external_cif_tar

tar:OQMD_309957

[ "Cl", "Hg" ]

[ 80, 80, 80, 80, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17 ]

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2

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{ "a": 7.00474214553833, "b": 7.00474214553833, "c": 7.00474214553833, "alpha": 90, "beta": 90, "gamma": 90 }

225

HgCl3

general_inorganic

false

null

[ "halide" ]

external_cif_tar

tar:OQMD_309971

[ "In", "Sb" ]

[ 49, 49, 49, 49, 49, 49, 49, 49, 49, 49, 49, 49, 51, 51, 51, 51 ]

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2

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{ "a": 7.423543930053711, "b": 7.423543930053711, "c": 7.423543930053711, "alpha": 90, "beta": 90, "gamma": 90 }

225

In3Sb

general_inorganic

false

null

external_cif_tar

tar:OQMD_309984

[ "Eu", "Ho" ]

[ 63, 63, 63, 63, 67, 67, 67, 67, 67, 67, 67, 67, 67, 67, 67, 67 ]

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2

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225

EuHo3

general_inorganic

false

null

external_cif_tar

tar:OQMD_310001

[ "Cl", "Sn" ]

[ 50, 50, 50, 50, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17 ]

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2

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225

SnCl3

general_inorganic

false

null

[ "halide" ]

external_cif_tar

tar:OQMD_310018

[ "Si", "Hf" ]

[ 72, 72, 72, 72, 72, 72, 72, 72, 72, 72, 72, 72, 14, 14, 14, 14 ]

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{ "a": 6.76079797744751, "b": 6.76079797744751, "c": 6.76079797744751, "alpha": 90, "beta": 90, "gamma": 90 }

225

Hf3Si

general_inorganic

false

null

external_cif_tar

tar:OQMD_310033

[ "Zn", "Tm" ]

[ 69, 69, 69, 69, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30 ]

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2

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225

TmZn3

general_inorganic

false

null

external_cif_tar

tar:OQMD_310051

[ "Cr", "Tm" ]

[ 69, 69, 69, 69, 69, 69, 69, 69, 69, 69, 69, 69, 24, 24, 24, 24 ]

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{ "a": 7.405794143676758, "b": 7.405794143676758, "c": 7.405794143676758, "alpha": 90, "beta": 90, "gamma": 90 }

225

Tm3Cr

general_inorganic

false

null

external_cif_tar

tar:OQMD_310066

[ "Cu", "Dy" ]

[ 66, 66, 66, 66, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29 ]

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{ "a": 6.25464391708374, "b": 6.25464391708374, "c": 6.25464391708374, "alpha": 90, "beta": 90, "gamma": 90 }

225

DyCu3

general_inorganic

false

null

external_cif_tar

tar:OQMD_310078

[ "F", "Cs" ]

[ 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 9, 9, 9, 9 ]

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{ "a": 9.85870361328125, "b": 9.85870361328125, "c": 9.85870361328125, "alpha": 90, "beta": 90, "gamma": 90 }

225

Cs3F

general_inorganic

false

null

[ "halide" ]

external_cif_tar

tar:OQMD_310091

[ "S", "Ti" ]

[ 22, 22, 22, 22, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16 ]

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{ "a": 6.217234134674072, "b": 6.217234134674072, "c": 6.217234134674072, "alpha": 90, "beta": 90, "gamma": 90 }

225

TiS3

general_inorganic

false

null

[ "sulfide" ]

external_cif_tar

tar:OQMD_310105

[ "Mo", "Hf" ]

[ 72, 72, 72, 72, 42, 42, 42, 42, 42, 42, 42, 42, 42, 42, 42, 42 ]

16

2

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225

HfMo3

general_inorganic

false

null

external_cif_tar

tar:OQMD_310117

[ "Cd", "I" ]

[ 48, 48, 48, 48, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53 ]

16

2

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225

CdI3

general_inorganic

false

null

[ "halide" ]

external_cif_tar

tar:OQMD_310148

[ "La", "Dy" ]

[ 57, 57, 57, 57, 66, 66, 66, 66, 66, 66, 66, 66, 66, 66, 66, 66 ]

16

2

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225

LaDy3

general_inorganic

false

null

external_cif_tar

tar:OQMD_310165

[ "Te", "Sm" ]

[ 62, 62, 62, 62, 62, 62, 62, 62, 62, 62, 62, 62, 52, 52, 52, 52 ]

16

2

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{ "a": 7.791306018829346, "b": 7.791306018829346, "c": 7.791306018829346, "alpha": 90, "beta": 90, "gamma": 90 }

225

Sm3Te

general_inorganic

false

null

external_cif_tar

tar:OQMD_310180

[ "Cl", "Cr" ]

[ 24, 24, 24, 24, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17 ]

16

2

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

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225

CrCl3

general_inorganic

false

null

[ "halide" ]

external_cif_tar

tar:OQMD_310206

[ "Er", "Pt" ]

[ 68, 68, 68, 68, 78, 78, 78, 78, 78, 78, 78, 78, 78, 78, 78, 78 ]

16

2

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{ "a": 6.5207839012146, "b": 6.5207839012146, "c": 6.5207839012146, "alpha": 90, "beta": 90, "gamma": 90 }

225

ErPt3

general_inorganic

false

null

external_cif_tar

tar:OQMD_310222

[ "Ca", "Bi" ]

[ 20, 20, 20, 20, 83, 83, 83, 83, 83, 83, 83, 83, 83, 83, 83, 83 ]

16

2

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{ "a": 7.898250102996826, "b": 7.898250102996826, "c": 7.898250102996826, "alpha": 90, "beta": 90, "gamma": 90 }

225

CaBi3

general_inorganic

false

null

external_cif_tar

tar:OQMD_310239

[ "Dy", "Hf" ]

[ 66, 66, 66, 66, 66, 66, 66, 66, 66, 66, 66, 66, 72, 72, 72, 72 ]

16

2

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{ "a": 7.706387996673584, "b": 7.706387996673584, "c": 7.706387996673584, "alpha": 90, "beta": 90, "gamma": 90 }

225

Dy3Hf

general_inorganic

false

null

external_cif_tar

tar:NOMAD_pEvH6ngGolphvtsUKlYunJaXdcog

[ "Be", "Pa" ]

[ 91, 91, 91, 91, 91, 91, 91, 91, 91, 91, 91, 91, 4, 4, 4, 4 ]

16

2

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

{ "a": 6.9595537185668945, "b": 6.9595537185668945, "c": 6.9595537185668945, "alpha": 90, "beta": 90, "gamma": 90 }

225

Pa3Be

general_inorganic

false

null

external_cif_tar

tar:OQMD_310271

[ "V", "Ge" ]

[ 23, 23, 23, 23, 23, 23, 23, 23, 23, 23, 23, 23, 32, 32, 32, 32 ]

16

2

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{ "a": 5.985631942749023, "b": 5.985631942749023, "c": 5.985631942749023, "alpha": 90, "beta": 90, "gamma": 90 }

225

V3Ge

general_inorganic

false

null

external_cif_tar

tar:OQMD_310281

[ "Y", "Pb" ]

[ 39, 39, 39, 39, 39, 39, 39, 39, 39, 39, 39, 39, 82, 82, 82, 82 ]

16

2

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{ "a": 7.712912082672119, "b": 7.712912082672119, "c": 7.712912082672119, "alpha": 90, "beta": 90, "gamma": 90 }

225

Y3Pb

general_inorganic

false

null

external_cif_tar

tar:NOMAD_mQ6rHmKjOySICeZ8LHEOEpgwpKl5

[ "Fe", "Ga" ]

[ 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 26, 26, 26, 26 ]

16

2

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{ "a": 6.16148042678833, "b": 6.16148042678833, "c": 6.16148042678833, "alpha": 90, "beta": 90, "gamma": 90 }

225

Ga3Fe

general_inorganic

false

null

external_cif_tar

tar:NOMAD_voY0zJkEQ4eR1b1xTWPFuB9vgvAB

[ "Au", "Ac" ]

[ 89, 89, 89, 89, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79 ]

16

2

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{ "a": 7.078647613525391, "b": 7.078647613525391, "c": 7.078647613525391, "alpha": 90, "beta": 90, "gamma": 90 }

225

AcAu3

general_inorganic

false

null

external_cif_tar

tar:OQMD_310327

[ "Y", "Nb" ]

[ 39, 39, 39, 39, 39, 39, 39, 39, 39, 39, 39, 39, 41, 41, 41, 41 ]

16

2

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{ "a": 7.6099419593811035, "b": 7.6099419593811035, "c": 7.6099419593811035, "alpha": 90, "beta": 90, "gamma": 90 }

225

Y3Nb

general_inorganic

false

null

external_cif_tar

tar:OQMD_310348

[ "Au", "Hg" ]

[ 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 79, 79, 79, 79 ]

16

2

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{ "a": 6.866569995880127, "b": 6.866569995880127, "c": 6.866569995880127, "alpha": 90, "beta": 90, "gamma": 90 }

225

Hg3Au

general_inorganic

false

null

external_cif_tar