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_M13H2E8Yc2BOGTsTEN2363Vowu-7	[ "As", "Th" ]	[ 90, 90, 90, 90, 90, 90, 90, 90, 90, 90, 90, 90, 33, 33, 33, 33 ]	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": 7.7129292488098145, "b": 7.7129292488098145, "c": 7.7129292488098145, "alpha": 90, "beta": 90, "gamma": 90 }	225	Th3As	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_310401	[ "Ce", "Gd" ]	[ 58, 58, 58, 58, 64, 64, 64, 64, 64, 64, 64, 64, 64, 64, 64, 64 ]	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": 8.148138046264648, "b": 8.148138046264648, "c": 8.148138046264648, "alpha": 90, "beta": 90, "gamma": 90 }	225	CeGd3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_310416	[ "F", "W" ]	[ 74, 74, 74, 74, 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": 5.364950180053711, "b": 5.364950180053711, "c": 5.364950180053711, "alpha": 90, "beta": 90, "gamma": 90 }	225	WF3	general_inorganic	false	null	null	null	null	null	[ "halide" ]	external_cif_tar
tar:OQMD_310429	[ "Ti", "Pt" ]	[ 22, 22, 22, 22, 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": 6.300174236297607, "b": 6.300174236297607, "c": 6.300174236297607, "alpha": 90, "beta": 90, "gamma": 90 }	225	TiPt3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_310441	[ "Sn", "I" ]	[ 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 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": 7.653456211090088, "b": 7.653456211090088, "c": 7.653456211090088, "alpha": 90, "beta": 90, "gamma": 90 }	225	Sn3I	general_inorganic	false	null	null	null	null	null	[ "halide" ]	external_cif_tar
tar:OQMD_310455	[ "Be", "Tm" ]	[ 69, 69, 69, 69, 69, 69, 69, 69, 69, 69, 69, 69, 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": 7.303733825683594, "b": 7.303733825683594, "c": 7.303733825683594, "alpha": 90, "beta": 90, "gamma": 90 }	225	Tm3Be	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_310480	[ "Tb", "Re" ]	[ 65, 65, 65, 65, 65, 65, 65, 65, 65, 65, 65, 65, 75, 75, 75, 75 ]	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": 7.2908759117126465, "b": 7.2908759117126465, "c": 7.2908759117126465, "alpha": 90, "beta": 90, "gamma": 90 }	225	Tb3Re	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_310495	[ "C", "Sn" ]	[ 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 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": 7.064184188842773, "b": 7.064184188842773, "c": 7.064184188842773, "alpha": 90, "beta": 90, "gamma": 90 }	225	Sn3C	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_310511	[ "Mo", "Tb" ]	[ 65, 65, 65, 65, 65, 65, 65, 65, 65, 65, 65, 65, 42, 42, 42, 42 ]	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": 7.3892059326171875, "b": 7.3892059326171875, "c": 7.3892059326171875, "alpha": 90, "beta": 90, "gamma": 90 }	225	Tb3Mo	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_310520	[ "B", "Nd" ]	[ 60, 60, 60, 60, 60, 60, 60, 60, 60, 60, 60, 60, 5, 5, 5, 5 ]	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": 7.386263847351074, "b": 7.386263847351074, "c": 7.386263847351074, "alpha": 90, "beta": 90, "gamma": 90 }	225	Nd3B	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_310533	[ "Co", "Sb" ]	[ 27, 27, 27, 27, 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": 7.111144065856934, "b": 7.111144065856934, "c": 7.111144065856934, "alpha": 90, "beta": 90, "gamma": 90 }	225	CoSb3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_310546	[ "Ru", "I" ]	[ 44, 44, 44, 44, 44, 44, 44, 44, 44, 44, 44, 44, 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": 6.368624210357666, "b": 6.368624210357666, "c": 6.368624210357666, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ru3I	general_inorganic	false	null	null	null	null	null	[ "halide" ]	external_cif_tar
tar:OQMD_300020	[ "Nb", "Pu" ]	[ 94, 94, 94, 94, 94, 94, 94, 94, 94, 94, 94, 94, 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": 6.488592147827148, "b": 6.488592147827148, "c": 6.488592147827148, "alpha": 90, "beta": 90, "gamma": 90 }	225	Pu3Nb	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_310576	[ "Cd", "Dy" ]	[ 66, 66, 66, 66, 48, 48, 48, 48, 48, 48, 48, 48, 48, 48, 48, 48 ]	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": 6.987261772155762, "b": 6.987261772155762, "c": 6.987261772155762, "alpha": 90, "beta": 90, "gamma": 90 }	225	DyCd3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_310591	[ "Lu", "Os" ]	[ 71, 71, 71, 71, 76, 76, 76, 76, 76, 76, 76, 76, 76, 76, 76, 76 ]	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": 6.368472099304199, "b": 6.368472099304199, "c": 6.368472099304199, "alpha": 90, "beta": 90, "gamma": 90 }	225	LuOs3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_310605	[ "Gd", "Re" ]	[ 64, 64, 64, 64, 75, 75, 75, 75, 75, 75, 75, 75, 75, 75, 75, 75 ]	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": 6.469279766082764, "b": 6.469279766082764, "c": 6.469279766082764, "alpha": 90, "beta": 90, "gamma": 90 }	225	GdRe3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_310621	[ "La", "Tl" ]	[ 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 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": 7.97691011428833, "b": 7.97691011428833, "c": 7.97691011428833, "alpha": 90, "beta": 90, "gamma": 90 }	225	La3Tl	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_310635	[ "Ca", "Tm" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 69, 69, 69, 69 ]	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": 8.4285306930542, "b": 8.4285306930542, "c": 8.4285306930542, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca3Tm	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_310652	[ "Ti", "Zn" ]	[ 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 30, 30, 30, 30 ]	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": 6.3919758796691895, "b": 6.3919758796691895, "c": 6.3919758796691895, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ti3Zn	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_VWX9yRQxnMWgWjKUhR73WAVHxWSf	[ "H", "Th" ]	[ 90, 90, 90, 90, 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": 5.437605857849121, "b": 5.437605857849121, "c": 5.437605857849121, "alpha": 90, "beta": 90, "gamma": 90 }	225	ThH3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_310687	[ "Mg", "U" ]	[ 12, 12, 12, 12, 92, 92, 92, 92, 92, 92, 92, 92, 92, 92, 92, 92 ]	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": 6.8338141441345215, "b": 6.8338141441345215, "c": 6.8338141441345215, "alpha": 90, "beta": 90, "gamma": 90 }	225	MgU3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_310704	[ "Br", "Ho" ]	[ 67, 67, 67, 67, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35 ]	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": 7.306404113769531, "b": 7.306404113769531, "c": 7.306404113769531, "alpha": 90, "beta": 90, "gamma": 90 }	225	HoBr3	general_inorganic	false	null	null	null	null	null	[ "halide" ]	external_cif_tar
tar:NOMAD_OaS6kD9jvv4gcsOsehR1EwADqhNt	[ "P", "Br" ]	[ 15, 15, 15, 15, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35 ]	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": 7.170099258422852, "b": 7.170099258422852, "c": 7.170099258422852, "alpha": 90, "beta": 90, "gamma": 90 }	225	PBr3	general_inorganic	false	null	null	null	null	null	[ "halide" ]	external_cif_tar
tar:OQMD_310737	[ "N", "Tb" ]	[ 65, 65, 65, 65, 65, 65, 65, 65, 65, 65, 65, 65, 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": 7.154551982879639, "b": 7.154551982879639, "c": 7.154551982879639, "alpha": 90, "beta": 90, "gamma": 90 }	225	Tb3N	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_310750	[ "Si", "Sr" ]	[ 38, 38, 38, 38, 38, 38, 38, 38, 38, 38, 38, 38, 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": 8.235393524169922, "b": 8.235393524169922, "c": 8.235393524169922, "alpha": 90, "beta": 90, "gamma": 90 }	225	Sr3Si	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_6lUbtL5uDTWZ6cg_jz_AmLW0Ao6f	[ "Mg", "Th" ]	[ 90, 90, 90, 90, 90, 90, 90, 90, 90, 90, 90, 90, 12, 12, 12, 12 ]	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": 7.89686393737793, "b": 7.89686393737793, "c": 7.89686393737793, "alpha": 90, "beta": 90, "gamma": 90 }	225	Th3Mg	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_310777	[ "O", "Cd" ]	[ 48, 48, 48, 48, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]	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": 5.442587852478027, "b": 5.442587852478027, "c": 5.442587852478027, "alpha": 90, "beta": 90, "gamma": 90 }	225	CdO3	general_inorganic	false	null	null	null	null	null	[ "oxide" ]	external_cif_tar
tar:OQMD_310792	[ "Ag", "Ir" ]	[ 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 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": 6.3436198234558105, "b": 6.3436198234558105, "c": 6.3436198234558105, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ag3Ir	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_310806	[ "Mo", "Bi" ]	[ 83, 83, 83, 83, 83, 83, 83, 83, 83, 83, 83, 83, 42, 42, 42, 42 ]	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": 7.3585100173950195, "b": 7.3585100173950195, "c": 7.3585100173950195, "alpha": 90, "beta": 90, "gamma": 90 }	225	Bi3Mo	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_310819	[ "Cd", "Re" ]	[ 48, 48, 48, 48, 48, 48, 48, 48, 48, 48, 48, 48, 75, 75, 75, 75 ]	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": 6.608138084411621, "b": 6.608138084411621, "c": 6.608138084411621, "alpha": 90, "beta": 90, "gamma": 90 }	225	Cd3Re	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_310837	[ "Ta", "U" ]	[ 92, 92, 92, 92, 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": 6.728275775909424, "b": 6.728275775909424, "c": 6.728275775909424, "alpha": 90, "beta": 90, "gamma": 90 }	225	UTa3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_310856	[ "Zr", "Mo" ]	[ 40, 40, 40, 40, 40, 40, 40, 40, 40, 40, 40, 40, 42, 42, 42, 42 ]	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": 6.878133773803711, "b": 6.878133773803711, "c": 6.878133773803711, "alpha": 90, "beta": 90, "gamma": 90 }	225	Zr3Mo	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_310874	[ "Nb", "Dy" ]	[ 66, 66, 66, 66, 66, 66, 66, 66, 66, 66, 66, 66, 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": 7.500621795654297, "b": 7.500621795654297, "c": 7.500621795654297, "alpha": 90, "beta": 90, "gamma": 90 }	225	Dy3Nb	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_310886	[ "Tl", "U" ]	[ 92, 92, 92, 92, 81, 81, 81, 81, 81, 81, 81, 81, 81, 81, 81, 81 ]	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": 7.528995990753174, "b": 7.528995990753174, "c": 7.528995990753174, "alpha": 90, "beta": 90, "gamma": 90 }	225	UTl3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_0OWDeK2rT6uVnJbmlHD5iOiupx6l	[ "Co", "W" ]	[ 27, 27, 27, 27, 74, 74, 74, 74, 74, 74, 74, 74, 74, 74, 74, 74 ]	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": 6.211337089538574, "b": 6.211337089538574, "c": 6.211337089538574, "alpha": 90, "beta": 90, "gamma": 90 }	225	CoW3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_310917	[ "Cr", "Nd" ]	[ 60, 60, 60, 60, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24 ]	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": 6.231123924255371, "b": 6.231123924255371, "c": 6.231123924255371, "alpha": 90, "beta": 90, "gamma": 90 }	225	NdCr3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_yc-xamfI-z1niNaODKqKInMWL3p2	[ "V", "Pu" ]	[ 94, 94, 94, 94, 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": 6.122951984405518, "b": 6.122951984405518, "c": 6.122951984405518, "alpha": 90, "beta": 90, "gamma": 90 }	225	PuV3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_310947	[ "K", "U" ]	[ 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 92, 92, 92, 92 ]	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": 9.715392112731934, "b": 9.715392112731934, "c": 9.715392112731934, "alpha": 90, "beta": 90, "gamma": 90 }	225	K3U	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_310960	[ "Tl", "Ac" ]	[ 89, 89, 89, 89, 89, 89, 89, 89, 89, 89, 89, 89, 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": 8.423478126525879, "b": 8.423478126525879, "c": 8.423478126525879, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ac3Tl	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_310973	[ "Cd", "Pu" ]	[ 94, 94, 94, 94, 48, 48, 48, 48, 48, 48, 48, 48, 48, 48, 48, 48 ]	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": 6.983913898468018, "b": 6.983913898468018, "c": 6.983913898468018, "alpha": 90, "beta": 90, "gamma": 90 }	225	PuCd3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_310990	[ "Cl", "Cs" ]	[ 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 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": 10.572500228881836, "b": 10.572500228881836, "c": 10.572500228881836, "alpha": 90, "beta": 90, "gamma": 90 }	225	Cs3Cl	general_inorganic	false	null	null	null	null	null	[ "halide" ]	external_cif_tar
tar:OQMD_310998	[ "Ca", "U" ]	[ 20, 20, 20, 20, 92, 92, 92, 92, 92, 92, 92, 92, 92, 92, 92, 92 ]	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": 7.3544721603393555, "b": 7.3544721603393555, "c": 7.3544721603393555, "alpha": 90, "beta": 90, "gamma": 90 }	225	CaU3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_311011	[ "Cl", "In" ]	[ 49, 49, 49, 49, 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": 6.916654109954834, "b": 6.916654109954834, "c": 6.916654109954834, "alpha": 90, "beta": 90, "gamma": 90 }	225	InCl3	general_inorganic	false	null	null	null	null	null	[ "halide" ]	external_cif_tar
tar:OQMD_311024	[ "Gd", "Ta" ]	[ 64, 64, 64, 64, 64, 64, 64, 64, 64, 64, 64, 64, 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": 7.544489860534668, "b": 7.544489860534668, "c": 7.544489860534668, "alpha": 90, "beta": 90, "gamma": 90 }	225	Gd3Ta	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_311037	[ "Sm", "Ho" ]	[ 62, 62, 62, 62, 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": 7.9785380363464355, "b": 7.9785380363464355, "c": 7.9785380363464355, "alpha": 90, "beta": 90, "gamma": 90 }	225	SmHo3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_311069	[ "Na", "W" ]	[ 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 74, 74, 74, 74 ]	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": 7.394102096557617, "b": 7.394102096557617, "c": 7.394102096557617, "alpha": 90, "beta": 90, "gamma": 90 }	225	Na3W	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_311089	[ "B", "Ir" ]	[ 5, 5, 5, 5, 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": 5.980405807495117, "b": 5.980405807495117, "c": 5.980405807495117, "alpha": 90, "beta": 90, "gamma": 90 }	225	BIr3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_311104	[ "Mn", "Pt" ]	[ 25, 25, 25, 25, 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": 6.190336227416992, "b": 6.190336227416992, "c": 6.190336227416992, "alpha": 90, "beta": 90, "gamma": 90 }	225	MnPt3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_311123	[ "Ca", "Zr" ]	[ 20, 20, 20, 20, 40, 40, 40, 40, 40, 40, 40, 40, 40, 40, 40, 40 ]	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": 7.358486175537109, "b": 7.358486175537109, "c": 7.358486175537109, "alpha": 90, "beta": 90, "gamma": 90 }	225	CaZr3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_311137	[ "Ga", "Nd" ]	[ 60, 60, 60, 60, 60, 60, 60, 60, 60, 60, 60, 60, 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": 7.739068031311035, "b": 7.739068031311035, "c": 7.739068031311035, "alpha": 90, "beta": 90, "gamma": 90 }	225	Nd3Ga	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_311154	[ "Sm", "Os" ]	[ 62, 62, 62, 62, 62, 62, 62, 62, 62, 62, 62, 62, 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": 7.347970008850098, "b": 7.347970008850098, "c": 7.347970008850098, "alpha": 90, "beta": 90, "gamma": 90 }	225	Sm3Os	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_PxNHeqREtF2WmJzQlNU0mLgLUH7y	[ "N", "Pa" ]	[ 91, 91, 91, 91, 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": 5.511805534362793, "b": 5.511805534362793, "c": 5.511805534362793, "alpha": 90, "beta": 90, "gamma": 90 }	225	PaN3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_311186	[ "Cu", "W" ]	[ 29, 29, 29, 29, 74, 74, 74, 74, 74, 74, 74, 74, 74, 74, 74, 74 ]	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": 6.244676113128662, "b": 6.244676113128662, "c": 6.244676113128662, "alpha": 90, "beta": 90, "gamma": 90 }	225	CuW3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_311201	[ "Zn", "Ba" ]	[ 56, 56, 56, 56, 56, 56, 56, 56, 56, 56, 56, 56, 30, 30, 30, 30 ]	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": 8.770086288452148, "b": 8.770086288452148, "c": 8.770086288452148, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ba3Zn	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_311214	[ "Ge", "Sm" ]	[ 62, 62, 62, 62, 62, 62, 62, 62, 62, 62, 62, 62, 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": 7.601424217224121, "b": 7.601424217224121, "c": 7.601424217224121, "alpha": 90, "beta": 90, "gamma": 90 }	225	Sm3Ge	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_A5OT4a1wxFYTShte1oA48HpekmMM	[ "Co", "Pd" ]	[ 27, 27, 27, 27, 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": 6.168431282043457, "b": 6.168431282043457, "c": 6.168431282043457, "alpha": 90, "beta": 90, "gamma": 90 }	225	CoPd3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_311246	[ "Cs", "La" ]	[ 55, 55, 55, 55, 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 57 ]	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": 8.812047958374023, "b": 8.812047958374023, "c": 8.812047958374023, "alpha": 90, "beta": 90, "gamma": 90 }	225	CsLa3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_311262	[ "Na", "Pr" ]	[ 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 59, 59, 59, 59 ]	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": 7.89585018157959, "b": 7.89585018157959, "c": 7.89585018157959, "alpha": 90, "beta": 90, "gamma": 90 }	225	Na3Pr	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_311281	[ "F", "Br" ]	[ 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 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": 6.8646159172058105, "b": 6.8646159172058105, "c": 6.8646159172058105, "alpha": 90, "beta": 90, "gamma": 90 }	225	Br3F	general_inorganic	false	null	null	null	null	null	[ "halide" ]	external_cif_tar
tar:OQMD_311299	[ "Sm", "Au" ]	[ 62, 62, 62, 62, 62, 62, 62, 62, 62, 62, 62, 62, 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": 7.534681797027588, "b": 7.534681797027588, "c": 7.534681797027588, "alpha": 90, "beta": 90, "gamma": 90 }	225	Sm3Au	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_311319	[ "C", "U" ]	[ 92, 92, 92, 92, 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": 5.487070083618164, "b": 5.487070083618164, "c": 5.487070083618164, "alpha": 90, "beta": 90, "gamma": 90 }	225	UC3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_311343	[ "Pd", "Er" ]	[ 68, 68, 68, 68, 68, 68, 68, 68, 68, 68, 68, 68, 46, 46, 46, 46 ]	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": 7.32493782043457, "b": 7.32493782043457, "c": 7.32493782043457, "alpha": 90, "beta": 90, "gamma": 90 }	225	Er3Pd	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_-7iHtR2CTfWYC4S9zgnLZrQTAiCm	[ "Si", "Mn" ]	[ 25, 25, 25, 25, 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": 5.810963153839111, "b": 5.810963153839111, "c": 5.810963153839111, "alpha": 90, "beta": 90, "gamma": 90 }	225	MnSi3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_311376	[ "Cs", "Tl" ]	[ 55, 55, 55, 55, 81, 81, 81, 81, 81, 81, 81, 81, 81, 81, 81, 81 ]	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": 8.208290100097656, "b": 8.208290100097656, "c": 8.208290100097656, "alpha": 90, "beta": 90, "gamma": 90 }	225	CsTl3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_311391	[ "Na", "S" ]	[ 11, 11, 11, 11, 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": 6.607227802276611, "b": 6.607227802276611, "c": 6.607227802276611, "alpha": 90, "beta": 90, "gamma": 90 }	225	NaS3	general_inorganic	false	null	null	null	null	null	[ "sulfide" ]	external_cif_tar
tar:OQMD_311403	[ "Se", "Pu" ]	[ 94, 94, 94, 94, 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": 6.975522041320801, "b": 6.975522041320801, "c": 6.975522041320801, "alpha": 90, "beta": 90, "gamma": 90 }	225	PuSe3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_dEV-YRd4MR9_AEyQRnDO71f_kkkw	[ "Al", "Tl" ]	[ 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 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": 6.93514347076416, "b": 6.93514347076416, "c": 6.93514347076416, "alpha": 90, "beta": 90, "gamma": 90 }	225	Al3Tl	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_311433	[ "Ti", "Tc" ]	[ 22, 22, 22, 22, 43, 43, 43, 43, 43, 43, 43, 43, 43, 43, 43, 43 ]	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": 6.1762261390686035, "b": 6.1762261390686035, "c": 6.1762261390686035, "alpha": 90, "beta": 90, "gamma": 90 }	225	TiTc3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_311451	[ "V", "Gd" ]	[ 64, 64, 64, 64, 64, 64, 64, 64, 64, 64, 64, 64, 23, 23, 23, 23 ]	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": 7.596129894256592, "b": 7.596129894256592, "c": 7.596129894256592, "alpha": 90, "beta": 90, "gamma": 90 }	225	Gd3V	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_311468	[ "Be", "Bi" ]	[ 4, 4, 4, 4, 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": 7.468709945678711, "b": 7.468709945678711, "c": 7.468709945678711, "alpha": 90, "beta": 90, "gamma": 90 }	225	BeBi3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_311481	[ "B", "V" ]	[ 23, 23, 23, 23, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5 ]	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": 5.010908126831055, "b": 5.010908126831055, "c": 5.010908126831055, "alpha": 90, "beta": 90, "gamma": 90 }	225	VB3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_7JsH6MLLXp0IaHuAnWMQqclWo_vk	[ "F", "Ti" ]	[ 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 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": 6.235417366027832, "b": 6.235417366027832, "c": 6.235417366027832, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ti3F	general_inorganic	false	null	null	null	null	null	[ "halide" ]	external_cif_tar
tar:OQMD_311530	[ "Na", "Sc" ]	[ 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 21, 21, 21, 21 ]	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": 7.658053874969482, "b": 7.658053874969482, "c": 7.658053874969482, "alpha": 90, "beta": 90, "gamma": 90 }	225	Na3Sc	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_311548	[ "Br", "Lu" ]	[ 71, 71, 71, 71, 71, 71, 71, 71, 71, 71, 71, 71, 35, 35, 35, 35 ]	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": 7.6905598640441895, "b": 7.6905598640441895, "c": 7.6905598640441895, "alpha": 90, "beta": 90, "gamma": 90 }	225	Lu3Br	general_inorganic	false	null	null	null	null	null	[ "halide" ]	external_cif_tar
tar:OQMD_311562	[ "Tc", "Pu" ]	[ 94, 94, 94, 94, 43, 43, 43, 43, 43, 43, 43, 43, 43, 43, 43, 43 ]	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": 6.371391773223877, "b": 6.371391773223877, "c": 6.371391773223877, "alpha": 90, "beta": 90, "gamma": 90 }	225	PuTc3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_311592	[ "H", "P" ]	[ 15, 15, 15, 15, 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": 4.51039981842041, "b": 4.51039981842041, "c": 4.51039981842041, "alpha": 90, "beta": 90, "gamma": 90 }	225	PH3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_311607	[ "Be", "Gd" ]	[ 64, 64, 64, 64, 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": 6.071238040924072, "b": 6.071238040924072, "c": 6.071238040924072, "alpha": 90, "beta": 90, "gamma": 90 }	225	GdBe3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_311625	[ "Ag", "Hf" ]	[ 72, 72, 72, 72, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47 ]	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": 6.517704010009766, "b": 6.517704010009766, "c": 6.517704010009766, "alpha": 90, "beta": 90, "gamma": 90 }	225	HfAg3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_311639	[ "C", "Zr" ]	[ 40, 40, 40, 40, 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": 5.48212194442749, "b": 5.48212194442749, "c": 5.48212194442749, "alpha": 90, "beta": 90, "gamma": 90 }	225	ZrC3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_UNwwS-qwEMHBj-enonHJAX0VgoQ3	[ "Ni", "Ba" ]	[ 56, 56, 56, 56, 28, 28, 28, 28, 28, 28, 28, 28, 28, 28, 28, 28 ]	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": 6.499752998352051, "b": 6.499752998352051, "c": 6.499752998352051, "alpha": 90, "beta": 90, "gamma": 90 }	225	BaNi3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_LderPPpCxVMe3mFDzjIm1k4YSYAE	[ "I", "Pt" ]	[ 78, 78, 78, 78, 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": 7.625479221343994, "b": 7.625479221343994, "c": 7.625479221343994, "alpha": 90, "beta": 90, "gamma": 90 }	225	PtI3	general_inorganic	false	null	null	null	null	null	[ "halide" ]	external_cif_tar
tar:OQMD_311710	[ "Ca", "Ta" ]	[ 20, 20, 20, 20, 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": 6.863903999328613, "b": 6.863903999328613, "c": 6.863903999328613, "alpha": 90, "beta": 90, "gamma": 90 }	225	CaTa3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_311728	[ "Fe", "Lu" ]	[ 71, 71, 71, 71, 71, 71, 71, 71, 71, 71, 71, 71, 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": 7.084099769592285, "b": 7.084099769592285, "c": 7.084099769592285, "alpha": 90, "beta": 90, "gamma": 90 }	225	Lu3Fe	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_311747	[ "K", "Lu" ]	[ 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 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": 9.604592323303223, "b": 9.604592323303223, "c": 9.604592323303223, "alpha": 90, "beta": 90, "gamma": 90 }	225	K3Lu	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_311765	[ "Sc", "In" ]	[ 21, 21, 21, 21, 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": 7.186130046844482, "b": 7.186130046844482, "c": 7.186130046844482, "alpha": 90, "beta": 90, "gamma": 90 }	225	ScIn3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_LVeVMR258SMHUlMvvUUVnmNqARET	[ "Al", "Ho" ]	[ 67, 67, 67, 67, 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": 6.829383850097656, "b": 6.829383850097656, "c": 6.829383850097656, "alpha": 90, "beta": 90, "gamma": 90 }	225	HoAl3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_311799	[ "Y", "Pr" ]	[ 59, 59, 59, 59, 59, 59, 59, 59, 59, 59, 59, 59, 39, 39, 39, 39 ]	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": 8.279033660888672, "b": 8.279033660888672, "c": 8.279033660888672, "alpha": 90, "beta": 90, "gamma": 90 }	225	Pr3Y	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_311819	[ "O", "Hf" ]	[ 72, 72, 72, 72, 72, 72, 72, 72, 72, 72, 72, 72, 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": 6.640254020690918, "b": 6.640254020690918, "c": 6.640254020690918, "alpha": 90, "beta": 90, "gamma": 90 }	225	Hf3O	general_inorganic	false	null	null	null	null	null	[ "oxide" ]	external_cif_tar
tar:OQMD_311832	[ "Tc", "Ag" ]	[ 43, 43, 43, 43, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47 ]	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": 6.364940166473389, "b": 6.364940166473389, "c": 6.364940166473389, "alpha": 90, "beta": 90, "gamma": 90 }	225	TcAg3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_311846	[ "Sc", "Sn" ]	[ 21, 21, 21, 21, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50 ]	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": 7.330542087554932, "b": 7.330542087554932, "c": 7.330542087554932, "alpha": 90, "beta": 90, "gamma": 90 }	225	ScSn3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_311868	[ "Nd", "Hf" ]	[ 60, 60, 60, 60, 72, 72, 72, 72, 72, 72, 72, 72, 72, 72, 72, 72 ]	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": 7.285985946655273, "b": 7.285985946655273, "c": 7.285985946655273, "alpha": 90, "beta": 90, "gamma": 90 }	225	NdHf3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_311897	[ "I", "Nd" ]	[ 60, 60, 60, 60, 60, 60, 60, 60, 60, 60, 60, 60, 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": 8.063358306884766, "b": 8.063358306884766, "c": 8.063358306884766, "alpha": 90, "beta": 90, "gamma": 90 }	225	Nd3I	general_inorganic	false	null	null	null	null	null	[ "halide" ]	external_cif_tar
tar:OQMD_311910	[ "Ag", "Tm" ]	[ 69, 69, 69, 69, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47 ]	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": 6.6907057762146, "b": 6.6907057762146, "c": 6.6907057762146, "alpha": 90, "beta": 90, "gamma": 90 }	225	TmAg3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_311927	[ "Sc", "Au" ]	[ 21, 21, 21, 21, 21, 21, 21, 21, 21, 21, 21, 21, 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": 6.838870048522949, "b": 6.838870048522949, "c": 6.838870048522949, "alpha": 90, "beta": 90, "gamma": 90 }	225	Sc3Au	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_311942	[ "Cr", "Rh" ]	[ 24, 24, 24, 24, 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": 5.981257915496826, "b": 5.981257915496826, "c": 5.981257915496826, "alpha": 90, "beta": 90, "gamma": 90 }	225	CrRh3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_tTH_DSibVyp6igIPJTILJ48jlBVg	[ "Ru", "Pu" ]	[ 94, 94, 94, 94, 94, 94, 94, 94, 94, 94, 94, 94, 44, 44, 44, 44 ]	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": 6.4162211418151855, "b": 6.4162211418151855, "c": 6.4162211418151855, "alpha": 90, "beta": 90, "gamma": 90 }	225	Pu3Ru	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_311974	[ "H", "Lu" ]	[ 71, 71, 71, 71, 71, 71, 71, 71, 71, 71, 71, 71, 1, 1, 1, 1 ]	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": 7.331039905548096, "b": 7.331039905548096, "c": 7.331039905548096, "alpha": 90, "beta": 90, "gamma": 90 }	225	Lu3H	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_311988	[ "Ca", "As" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 33, 33, 33, 33 ]	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": 7.855989933013916, "b": 7.855989933013916, "c": 7.855989933013916, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca3As	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_312003	[ "Cd", "W" ]	[ 48, 48, 48, 48, 74, 74, 74, 74, 74, 74, 74, 74, 74, 74, 74, 74 ]	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": 6.459568023681641, "b": 6.459568023681641, "c": 6.459568023681641, "alpha": 90, "beta": 90, "gamma": 90 }	225	CdW3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_uy4N6weNLuuYLmPVWm8cfCEdzwjx	[ "Se", "Ac" ]	[ 89, 89, 89, 89, 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": 7.4681878089904785, "b": 7.4681878089904785, "c": 7.4681878089904785, "alpha": 90, "beta": 90, "gamma": 90 }	225	AcSe3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar

tar:NOMAD_M13H2E8Yc2BOGTsTEN2363Vowu-7

[ "As", "Th" ]

[ 90, 90, 90, 90, 90, 90, 90, 90, 90, 90, 90, 90, 33, 33, 33, 33 ]

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": 7.7129292488098145, "b": 7.7129292488098145, "c": 7.7129292488098145, "alpha": 90, "beta": 90, "gamma": 90 }

225

Th3As

general_inorganic

false

null

external_cif_tar

tar:OQMD_310401

[ "Ce", "Gd" ]

[ 58, 58, 58, 58, 64, 64, 64, 64, 64, 64, 64, 64, 64, 64, 64, 64 ]

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": 8.148138046264648, "b": 8.148138046264648, "c": 8.148138046264648, "alpha": 90, "beta": 90, "gamma": 90 }

225

CeGd3

general_inorganic

false

null

external_cif_tar

tar:OQMD_310416

[ "F", "W" ]

[ 74, 74, 74, 74, 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": 5.364950180053711, "b": 5.364950180053711, "c": 5.364950180053711, "alpha": 90, "beta": 90, "gamma": 90 }

225

WF3

general_inorganic

false

null

[ "halide" ]

external_cif_tar

tar:OQMD_310429

[ "Ti", "Pt" ]

[ 22, 22, 22, 22, 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": 6.300174236297607, "b": 6.300174236297607, "c": 6.300174236297607, "alpha": 90, "beta": 90, "gamma": 90 }

225

TiPt3

general_inorganic

false

null

external_cif_tar

tar:OQMD_310441

[ "Sn", "I" ]

[ 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 53, 53, 53, 53 ]

16

2

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{ "a": 7.653456211090088, "b": 7.653456211090088, "c": 7.653456211090088, "alpha": 90, "beta": 90, "gamma": 90 }

225

Sn3I

general_inorganic

false

null

[ "halide" ]

external_cif_tar

tar:OQMD_310455

[ "Be", "Tm" ]

[ 69, 69, 69, 69, 69, 69, 69, 69, 69, 69, 69, 69, 4, 4, 4, 4 ]

16

2

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{ "a": 7.303733825683594, "b": 7.303733825683594, "c": 7.303733825683594, "alpha": 90, "beta": 90, "gamma": 90 }

225

Tm3Be

general_inorganic

false

null

external_cif_tar

tar:OQMD_310480

[ "Tb", "Re" ]

[ 65, 65, 65, 65, 65, 65, 65, 65, 65, 65, 65, 65, 75, 75, 75, 75 ]

16

2

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{ "a": 7.2908759117126465, "b": 7.2908759117126465, "c": 7.2908759117126465, "alpha": 90, "beta": 90, "gamma": 90 }

225

Tb3Re

general_inorganic

false

null

external_cif_tar

tar:OQMD_310495

[ "C", "Sn" ]

[ 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 6, 6, 6, 6 ]

16

2

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{ "a": 7.064184188842773, "b": 7.064184188842773, "c": 7.064184188842773, "alpha": 90, "beta": 90, "gamma": 90 }

225

Sn3C

general_inorganic

false

null

external_cif_tar

tar:OQMD_310511

[ "Mo", "Tb" ]

[ 65, 65, 65, 65, 65, 65, 65, 65, 65, 65, 65, 65, 42, 42, 42, 42 ]

16

2

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{ "a": 7.3892059326171875, "b": 7.3892059326171875, "c": 7.3892059326171875, "alpha": 90, "beta": 90, "gamma": 90 }

225

Tb3Mo

general_inorganic

false

null

external_cif_tar

tar:OQMD_310520

[ "B", "Nd" ]

[ 60, 60, 60, 60, 60, 60, 60, 60, 60, 60, 60, 60, 5, 5, 5, 5 ]

16

2

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{ "a": 7.386263847351074, "b": 7.386263847351074, "c": 7.386263847351074, "alpha": 90, "beta": 90, "gamma": 90 }

225

Nd3B

general_inorganic

false

null

external_cif_tar

tar:OQMD_310533

[ "Co", "Sb" ]

[ 27, 27, 27, 27, 51, 51, 51, 51, 51, 51, 51, 51, 51, 51, 51, 51 ]

16

2

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{ "a": 7.111144065856934, "b": 7.111144065856934, "c": 7.111144065856934, "alpha": 90, "beta": 90, "gamma": 90 }

225

CoSb3

general_inorganic

false

null

external_cif_tar

tar:OQMD_310546

[ "Ru", "I" ]

[ 44, 44, 44, 44, 44, 44, 44, 44, 44, 44, 44, 44, 53, 53, 53, 53 ]

16

2

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{ "a": 6.368624210357666, "b": 6.368624210357666, "c": 6.368624210357666, "alpha": 90, "beta": 90, "gamma": 90 }

225

Ru3I

general_inorganic

false

null

[ "halide" ]

external_cif_tar

tar:OQMD_300020

[ "Nb", "Pu" ]

[ 94, 94, 94, 94, 94, 94, 94, 94, 94, 94, 94, 94, 41, 41, 41, 41 ]

16

2

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{ "a": 6.488592147827148, "b": 6.488592147827148, "c": 6.488592147827148, "alpha": 90, "beta": 90, "gamma": 90 }

225

Pu3Nb

general_inorganic

false

null

external_cif_tar

tar:OQMD_310576

[ "Cd", "Dy" ]

[ 66, 66, 66, 66, 48, 48, 48, 48, 48, 48, 48, 48, 48, 48, 48, 48 ]

16

2

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{ "a": 6.987261772155762, "b": 6.987261772155762, "c": 6.987261772155762, "alpha": 90, "beta": 90, "gamma": 90 }

225

DyCd3

general_inorganic

false

null

external_cif_tar

tar:OQMD_310591

[ "Lu", "Os" ]

[ 71, 71, 71, 71, 76, 76, 76, 76, 76, 76, 76, 76, 76, 76, 76, 76 ]

16

2

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{ "a": 6.368472099304199, "b": 6.368472099304199, "c": 6.368472099304199, "alpha": 90, "beta": 90, "gamma": 90 }

225

LuOs3

general_inorganic

false

null

external_cif_tar

tar:OQMD_310605

[ "Gd", "Re" ]

[ 64, 64, 64, 64, 75, 75, 75, 75, 75, 75, 75, 75, 75, 75, 75, 75 ]

16

2

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{ "a": 6.469279766082764, "b": 6.469279766082764, "c": 6.469279766082764, "alpha": 90, "beta": 90, "gamma": 90 }

225

GdRe3

general_inorganic

false

null

external_cif_tar

tar:OQMD_310621

[ "La", "Tl" ]

[ 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 81, 81, 81, 81 ]

16

2

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{ "a": 7.97691011428833, "b": 7.97691011428833, "c": 7.97691011428833, "alpha": 90, "beta": 90, "gamma": 90 }

225

La3Tl

general_inorganic

false

null

external_cif_tar

tar:OQMD_310635

[ "Ca", "Tm" ]

[ 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 69, 69, 69, 69 ]

16

2

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{ "a": 8.4285306930542, "b": 8.4285306930542, "c": 8.4285306930542, "alpha": 90, "beta": 90, "gamma": 90 }

225

Ca3Tm

general_inorganic

false

null

external_cif_tar

tar:OQMD_310652

[ "Ti", "Zn" ]

[ 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 30, 30, 30, 30 ]

16

2

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{ "a": 6.3919758796691895, "b": 6.3919758796691895, "c": 6.3919758796691895, "alpha": 90, "beta": 90, "gamma": 90 }

225

Ti3Zn

general_inorganic

false

null

external_cif_tar

tar:NOMAD_VWX9yRQxnMWgWjKUhR73WAVHxWSf

[ "H", "Th" ]

[ 90, 90, 90, 90, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]

16

2

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{ "a": 5.437605857849121, "b": 5.437605857849121, "c": 5.437605857849121, "alpha": 90, "beta": 90, "gamma": 90 }

225

ThH3

general_inorganic

false

null

external_cif_tar

tar:OQMD_310687

[ "Mg", "U" ]

[ 12, 12, 12, 12, 92, 92, 92, 92, 92, 92, 92, 92, 92, 92, 92, 92 ]

16

2

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{ "a": 6.8338141441345215, "b": 6.8338141441345215, "c": 6.8338141441345215, "alpha": 90, "beta": 90, "gamma": 90 }

225

MgU3

general_inorganic

false

null

external_cif_tar

tar:OQMD_310704

[ "Br", "Ho" ]

[ 67, 67, 67, 67, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35 ]

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2

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225

HoBr3

general_inorganic

false

null

[ "halide" ]

external_cif_tar

tar:NOMAD_OaS6kD9jvv4gcsOsehR1EwADqhNt

[ "P", "Br" ]

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225

PBr3

general_inorganic

false

null

[ "halide" ]

external_cif_tar

tar:OQMD_310737

[ "N", "Tb" ]

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225

Tb3N

general_inorganic

false

null

external_cif_tar

tar:OQMD_310750

[ "Si", "Sr" ]

[ 38, 38, 38, 38, 38, 38, 38, 38, 38, 38, 38, 38, 14, 14, 14, 14 ]

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225

Sr3Si

general_inorganic

false

null

external_cif_tar

tar:NOMAD_6lUbtL5uDTWZ6cg_jz_AmLW0Ao6f

[ "Mg", "Th" ]

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225

Th3Mg

general_inorganic

false

null

external_cif_tar

tar:OQMD_310777

[ "O", "Cd" ]

[ 48, 48, 48, 48, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]

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225

CdO3

general_inorganic

false

null

[ "oxide" ]

external_cif_tar

tar:OQMD_310792

[ "Ag", "Ir" ]

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225

Ag3Ir

general_inorganic

false

null

external_cif_tar

tar:OQMD_310806

[ "Mo", "Bi" ]

[ 83, 83, 83, 83, 83, 83, 83, 83, 83, 83, 83, 83, 42, 42, 42, 42 ]

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225

Bi3Mo

general_inorganic

false

null

external_cif_tar

tar:OQMD_310819

[ "Cd", "Re" ]

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225

Cd3Re

general_inorganic

false

null

external_cif_tar

tar:OQMD_310837

[ "Ta", "U" ]

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225

UTa3

general_inorganic

false

null

external_cif_tar

tar:OQMD_310856

[ "Zr", "Mo" ]

[ 40, 40, 40, 40, 40, 40, 40, 40, 40, 40, 40, 40, 42, 42, 42, 42 ]

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225

Zr3Mo

general_inorganic

false

null

external_cif_tar

tar:OQMD_310874

[ "Nb", "Dy" ]

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225

Dy3Nb

general_inorganic

false

null

external_cif_tar

tar:OQMD_310886

[ "Tl", "U" ]

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225

UTl3

general_inorganic

false

null

external_cif_tar

tar:NOMAD_0OWDeK2rT6uVnJbmlHD5iOiupx6l

[ "Co", "W" ]

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225

CoW3

general_inorganic

false

null

external_cif_tar

tar:OQMD_310917

[ "Cr", "Nd" ]

[ 60, 60, 60, 60, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24 ]

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225

NdCr3

general_inorganic

false

null

external_cif_tar

tar:NOMAD_yc-xamfI-z1niNaODKqKInMWL3p2

[ "V", "Pu" ]

[ 94, 94, 94, 94, 23, 23, 23, 23, 23, 23, 23, 23, 23, 23, 23, 23 ]

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225

PuV3

general_inorganic

false

null

external_cif_tar

tar:OQMD_310947

[ "K", "U" ]

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225

K3U

general_inorganic

false

null

external_cif_tar

tar:OQMD_310960

[ "Tl", "Ac" ]

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225

Ac3Tl

general_inorganic

false

null

external_cif_tar

tar:OQMD_310973

[ "Cd", "Pu" ]

[ 94, 94, 94, 94, 48, 48, 48, 48, 48, 48, 48, 48, 48, 48, 48, 48 ]

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225

PuCd3

general_inorganic

false

null

external_cif_tar

tar:OQMD_310990

[ "Cl", "Cs" ]

[ 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 55, 17, 17, 17, 17 ]

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225

Cs3Cl

general_inorganic

false

null

[ "halide" ]

external_cif_tar

tar:OQMD_310998

[ "Ca", "U" ]

[ 20, 20, 20, 20, 92, 92, 92, 92, 92, 92, 92, 92, 92, 92, 92, 92 ]

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225

CaU3

general_inorganic

false

null

external_cif_tar

tar:OQMD_311011

[ "Cl", "In" ]

[ 49, 49, 49, 49, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17 ]

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225

InCl3

general_inorganic

false

null

[ "halide" ]

external_cif_tar

tar:OQMD_311024

[ "Gd", "Ta" ]

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

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225

Gd3Ta

general_inorganic

false

null

external_cif_tar

tar:OQMD_311037

[ "Sm", "Ho" ]

[ 62, 62, 62, 62, 67, 67, 67, 67, 67, 67, 67, 67, 67, 67, 67, 67 ]

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225

SmHo3

general_inorganic

false

null

external_cif_tar

tar:OQMD_311069

[ "Na", "W" ]

[ 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 74, 74, 74, 74 ]

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225

Na3W

general_inorganic

false

null

external_cif_tar

tar:OQMD_311089

[ "B", "Ir" ]

[ 5, 5, 5, 5, 77, 77, 77, 77, 77, 77, 77, 77, 77, 77, 77, 77 ]

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225

BIr3

general_inorganic

false

null

external_cif_tar

tar:OQMD_311104

[ "Mn", "Pt" ]

[ 25, 25, 25, 25, 78, 78, 78, 78, 78, 78, 78, 78, 78, 78, 78, 78 ]

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225

MnPt3

general_inorganic

false

null

external_cif_tar

tar:OQMD_311123

[ "Ca", "Zr" ]

[ 20, 20, 20, 20, 40, 40, 40, 40, 40, 40, 40, 40, 40, 40, 40, 40 ]

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225

CaZr3

general_inorganic

false

null

external_cif_tar

tar:OQMD_311137

[ "Ga", "Nd" ]

[ 60, 60, 60, 60, 60, 60, 60, 60, 60, 60, 60, 60, 31, 31, 31, 31 ]

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225

Nd3Ga

general_inorganic

false

null

external_cif_tar

tar:OQMD_311154

[ "Sm", "Os" ]

[ 62, 62, 62, 62, 62, 62, 62, 62, 62, 62, 62, 62, 76, 76, 76, 76 ]

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225

Sm3Os

general_inorganic

false

null

external_cif_tar

tar:NOMAD_PxNHeqREtF2WmJzQlNU0mLgLUH7y

[ "N", "Pa" ]

[ 91, 91, 91, 91, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7 ]

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225

PaN3

general_inorganic

false

null

external_cif_tar

tar:OQMD_311186

[ "Cu", "W" ]

[ 29, 29, 29, 29, 74, 74, 74, 74, 74, 74, 74, 74, 74, 74, 74, 74 ]

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225

CuW3

general_inorganic

false

null

external_cif_tar

tar:OQMD_311201

[ "Zn", "Ba" ]

[ 56, 56, 56, 56, 56, 56, 56, 56, 56, 56, 56, 56, 30, 30, 30, 30 ]

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225

Ba3Zn

general_inorganic

false

null

external_cif_tar

tar:OQMD_311214

[ "Ge", "Sm" ]

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225

Sm3Ge

general_inorganic

false

null

external_cif_tar

tar:NOMAD_A5OT4a1wxFYTShte1oA48HpekmMM

[ "Co", "Pd" ]

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225

CoPd3

general_inorganic

false

null

external_cif_tar

tar:OQMD_311246

[ "Cs", "La" ]

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225

CsLa3

general_inorganic

false

null

external_cif_tar

tar:OQMD_311262

[ "Na", "Pr" ]

[ 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 59, 59, 59, 59 ]

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225

Na3Pr

general_inorganic

false

null

external_cif_tar

tar:OQMD_311281

[ "F", "Br" ]

[ 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 9, 9, 9, 9 ]

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225

Br3F

general_inorganic

false

null

[ "halide" ]

external_cif_tar

tar:OQMD_311299

[ "Sm", "Au" ]

[ 62, 62, 62, 62, 62, 62, 62, 62, 62, 62, 62, 62, 79, 79, 79, 79 ]

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225

Sm3Au

general_inorganic

false

null

external_cif_tar

tar:OQMD_311319

[ "C", "U" ]

[ 92, 92, 92, 92, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]

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225

UC3

general_inorganic

false

null

external_cif_tar

tar:OQMD_311343

[ "Pd", "Er" ]

[ 68, 68, 68, 68, 68, 68, 68, 68, 68, 68, 68, 68, 46, 46, 46, 46 ]

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225

Er3Pd

general_inorganic

false

null

external_cif_tar

tar:NOMAD_-7iHtR2CTfWYC4S9zgnLZrQTAiCm

[ "Si", "Mn" ]

[ 25, 25, 25, 25, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14 ]

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225

MnSi3

general_inorganic

false

null

external_cif_tar

tar:OQMD_311376

[ "Cs", "Tl" ]

[ 55, 55, 55, 55, 81, 81, 81, 81, 81, 81, 81, 81, 81, 81, 81, 81 ]

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225

CsTl3

general_inorganic

false

null

external_cif_tar

tar:OQMD_311391

[ "Na", "S" ]

[ 11, 11, 11, 11, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16 ]

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225

NaS3

general_inorganic

false

null

[ "sulfide" ]

external_cif_tar

tar:OQMD_311403

[ "Se", "Pu" ]

[ 94, 94, 94, 94, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34 ]

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225

PuSe3

general_inorganic

false

null

external_cif_tar

tar:NOMAD_dEV-YRd4MR9_AEyQRnDO71f_kkkw

[ "Al", "Tl" ]

[ 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 81, 81, 81, 81 ]

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225

Al3Tl

general_inorganic

false

null

external_cif_tar

tar:OQMD_311433

[ "Ti", "Tc" ]

[ 22, 22, 22, 22, 43, 43, 43, 43, 43, 43, 43, 43, 43, 43, 43, 43 ]

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225

TiTc3

general_inorganic

false

null

external_cif_tar

tar:OQMD_311451

[ "V", "Gd" ]

[ 64, 64, 64, 64, 64, 64, 64, 64, 64, 64, 64, 64, 23, 23, 23, 23 ]

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225

Gd3V

general_inorganic

false

null

external_cif_tar

tar:OQMD_311468

[ "Be", "Bi" ]

[ 4, 4, 4, 4, 83, 83, 83, 83, 83, 83, 83, 83, 83, 83, 83, 83 ]

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225

BeBi3

general_inorganic

false

null

external_cif_tar

tar:OQMD_311481

[ "B", "V" ]

[ 23, 23, 23, 23, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5 ]

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225

VB3

general_inorganic

false

null

external_cif_tar

tar:NOMAD_7JsH6MLLXp0IaHuAnWMQqclWo_vk

[ "F", "Ti" ]

[ 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 9, 9, 9, 9 ]

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225

Ti3F

general_inorganic

false

null

[ "halide" ]

external_cif_tar

tar:OQMD_311530

[ "Na", "Sc" ]

[ 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 21, 21, 21, 21 ]

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225

Na3Sc

general_inorganic

false

null

external_cif_tar

tar:OQMD_311548

[ "Br", "Lu" ]

[ 71, 71, 71, 71, 71, 71, 71, 71, 71, 71, 71, 71, 35, 35, 35, 35 ]

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225

Lu3Br

general_inorganic

false

null

[ "halide" ]

external_cif_tar

tar:OQMD_311562

[ "Tc", "Pu" ]

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

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225

PuTc3

general_inorganic

false

null

external_cif_tar

tar:OQMD_311592

[ "H", "P" ]

[ 15, 15, 15, 15, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]

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225

PH3

general_inorganic

false

null

external_cif_tar

tar:OQMD_311607

[ "Be", "Gd" ]

[ 64, 64, 64, 64, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4 ]

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225

GdBe3

general_inorganic

false

null

external_cif_tar

tar:OQMD_311625

[ "Ag", "Hf" ]

[ 72, 72, 72, 72, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47 ]

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225

HfAg3

general_inorganic

false

null

external_cif_tar

tar:OQMD_311639

[ "C", "Zr" ]

[ 40, 40, 40, 40, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]

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225

ZrC3

general_inorganic

false

null

external_cif_tar

tar:NOMAD_UNwwS-qwEMHBj-enonHJAX0VgoQ3

[ "Ni", "Ba" ]

[ 56, 56, 56, 56, 28, 28, 28, 28, 28, 28, 28, 28, 28, 28, 28, 28 ]

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225

BaNi3

general_inorganic

false

null

external_cif_tar

tar:NOMAD_LderPPpCxVMe3mFDzjIm1k4YSYAE

[ "I", "Pt" ]

[ 78, 78, 78, 78, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53 ]

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225

PtI3

general_inorganic

false

null

[ "halide" ]

external_cif_tar

tar:OQMD_311710

[ "Ca", "Ta" ]

[ 20, 20, 20, 20, 73, 73, 73, 73, 73, 73, 73, 73, 73, 73, 73, 73 ]

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225

CaTa3

general_inorganic

false

null

external_cif_tar

tar:OQMD_311728

[ "Fe", "Lu" ]

[ 71, 71, 71, 71, 71, 71, 71, 71, 71, 71, 71, 71, 26, 26, 26, 26 ]

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225

Lu3Fe

general_inorganic

false

null

external_cif_tar

tar:OQMD_311747

[ "K", "Lu" ]

[ 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 71, 71, 71, 71 ]

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225

K3Lu

general_inorganic

false

null

external_cif_tar

tar:OQMD_311765

[ "Sc", "In" ]

[ 21, 21, 21, 21, 49, 49, 49, 49, 49, 49, 49, 49, 49, 49, 49, 49 ]

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225

ScIn3

general_inorganic

false

null

external_cif_tar

tar:NOMAD_LVeVMR258SMHUlMvvUUVnmNqARET

[ "Al", "Ho" ]

[ 67, 67, 67, 67, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13 ]

16

2

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{ "a": 6.829383850097656, "b": 6.829383850097656, "c": 6.829383850097656, "alpha": 90, "beta": 90, "gamma": 90 }

225

HoAl3

general_inorganic

false

null

external_cif_tar

tar:OQMD_311799

[ "Y", "Pr" ]

[ 59, 59, 59, 59, 59, 59, 59, 59, 59, 59, 59, 59, 39, 39, 39, 39 ]

16

2

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{ "a": 8.279033660888672, "b": 8.279033660888672, "c": 8.279033660888672, "alpha": 90, "beta": 90, "gamma": 90 }

225

Pr3Y

general_inorganic

false

null

external_cif_tar

tar:OQMD_311819

[ "O", "Hf" ]

[ 72, 72, 72, 72, 72, 72, 72, 72, 72, 72, 72, 72, 8, 8, 8, 8 ]

16

2

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{ "a": 6.640254020690918, "b": 6.640254020690918, "c": 6.640254020690918, "alpha": 90, "beta": 90, "gamma": 90 }

225

Hf3O

general_inorganic

false

null

[ "oxide" ]

external_cif_tar

tar:OQMD_311832

[ "Tc", "Ag" ]

[ 43, 43, 43, 43, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47 ]

16

2

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{ "a": 6.364940166473389, "b": 6.364940166473389, "c": 6.364940166473389, "alpha": 90, "beta": 90, "gamma": 90 }

225

TcAg3

general_inorganic

false

null

external_cif_tar

tar:OQMD_311846

[ "Sc", "Sn" ]

[ 21, 21, 21, 21, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50 ]

16

2

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{ "a": 7.330542087554932, "b": 7.330542087554932, "c": 7.330542087554932, "alpha": 90, "beta": 90, "gamma": 90 }

225

ScSn3

general_inorganic

false

null

external_cif_tar

tar:OQMD_311868

[ "Nd", "Hf" ]

[ 60, 60, 60, 60, 72, 72, 72, 72, 72, 72, 72, 72, 72, 72, 72, 72 ]

16

2

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{ "a": 7.285985946655273, "b": 7.285985946655273, "c": 7.285985946655273, "alpha": 90, "beta": 90, "gamma": 90 }

225

NdHf3

general_inorganic

false

null

external_cif_tar

tar:OQMD_311897

[ "I", "Nd" ]

[ 60, 60, 60, 60, 60, 60, 60, 60, 60, 60, 60, 60, 53, 53, 53, 53 ]

16

2

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{ "a": 8.063358306884766, "b": 8.063358306884766, "c": 8.063358306884766, "alpha": 90, "beta": 90, "gamma": 90 }

225

Nd3I

general_inorganic

false

null

[ "halide" ]

external_cif_tar

tar:OQMD_311910

[ "Ag", "Tm" ]

[ 69, 69, 69, 69, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47 ]

16

2

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{ "a": 6.6907057762146, "b": 6.6907057762146, "c": 6.6907057762146, "alpha": 90, "beta": 90, "gamma": 90 }

225

TmAg3

general_inorganic

false

null

external_cif_tar

tar:OQMD_311927

[ "Sc", "Au" ]

[ 21, 21, 21, 21, 21, 21, 21, 21, 21, 21, 21, 21, 79, 79, 79, 79 ]

16

2

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{ "a": 6.838870048522949, "b": 6.838870048522949, "c": 6.838870048522949, "alpha": 90, "beta": 90, "gamma": 90 }

225

Sc3Au

general_inorganic

false

null

external_cif_tar

tar:OQMD_311942

[ "Cr", "Rh" ]

[ 24, 24, 24, 24, 45, 45, 45, 45, 45, 45, 45, 45, 45, 45, 45, 45 ]

16

2

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{ "a": 5.981257915496826, "b": 5.981257915496826, "c": 5.981257915496826, "alpha": 90, "beta": 90, "gamma": 90 }

225

CrRh3

general_inorganic

false

null

external_cif_tar

tar:NOMAD_tTH_DSibVyp6igIPJTILJ48jlBVg

[ "Ru", "Pu" ]

[ 94, 94, 94, 94, 94, 94, 94, 94, 94, 94, 94, 94, 44, 44, 44, 44 ]

16

2

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{ "a": 6.4162211418151855, "b": 6.4162211418151855, "c": 6.4162211418151855, "alpha": 90, "beta": 90, "gamma": 90 }

225

Pu3Ru

general_inorganic

false

null

external_cif_tar

tar:OQMD_311974

[ "H", "Lu" ]

[ 71, 71, 71, 71, 71, 71, 71, 71, 71, 71, 71, 71, 1, 1, 1, 1 ]

16

2

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{ "a": 7.331039905548096, "b": 7.331039905548096, "c": 7.331039905548096, "alpha": 90, "beta": 90, "gamma": 90 }

225

Lu3H

general_inorganic

false

null

external_cif_tar

tar:OQMD_311988

[ "Ca", "As" ]

[ 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 33, 33, 33, 33 ]

16

2

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{ "a": 7.855989933013916, "b": 7.855989933013916, "c": 7.855989933013916, "alpha": 90, "beta": 90, "gamma": 90 }

225

Ca3As

general_inorganic

false

null

external_cif_tar

tar:OQMD_312003

[ "Cd", "W" ]

[ 48, 48, 48, 48, 74, 74, 74, 74, 74, 74, 74, 74, 74, 74, 74, 74 ]

16

2

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{ "a": 6.459568023681641, "b": 6.459568023681641, "c": 6.459568023681641, "alpha": 90, "beta": 90, "gamma": 90 }

225

CdW3

general_inorganic

false

null

external_cif_tar

tar:NOMAD_uy4N6weNLuuYLmPVWm8cfCEdzwjx

[ "Se", "Ac" ]

[ 89, 89, 89, 89, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34 ]

16

2

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{ "a": 7.4681878089904785, "b": 7.4681878089904785, "c": 7.4681878089904785, "alpha": 90, "beta": 90, "gamma": 90 }

225

AcSe3

general_inorganic

false

null

external_cif_tar