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:OQMD_321120	[ "Nd", "Bi" ]	[ 60, 60, 60, 60, 60, 60, 83, 83 ]	8	2	[ [ 0.1714712679386139, 0.3429425358772278, 0.25 ], [ 0.8285287022590637, 0.6570574641227722, 0.75 ], [ 0.8285287022590637, 0.1714712679386139, 0.75 ], [ 0.1714712679386139, 0.8285287022590637, 0.25 ], [ 0.6570574641227722, 0.8285287022590637, ...	{ "a": 7.055444717407227, "b": 7.055444717407227, "c": 5.7989091873168945, "alpha": 90, "beta": 90, "gamma": 120 }	194	Nd3Bi	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_321136	[ "Zr", "U" ]	[ 40, 40, 40, 40, 40, 40, 40, 40, 40, 40, 40, 40, 92, 92, 92, 92 ]	16	2	[ [ 0.2499137967824936, 0.3147633373737335, 0.75 ], [ 0.2500861883163452, 0.18523666262626648, 0.25 ], [ 0.7499138116836548, 0.18523666262626648, 0.25 ], [ 0.7500861883163452, 0.3147633373737335, 0.75 ], [ 0, 0.07288438081741333, 0.75 ], ...	{ "a": 6.141858100891113, "b": 11.67282772064209, "c": 5.1008501052856445, "alpha": 90, "beta": 90, "gamma": 90 }	63	Zr3U	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_321150	[ "V", "Cs" ]	[ 55, 55, 55, 55, 55, 55, 23, 23 ]	8	2	[ [ 0.18067573010921478, 0.36135146021842957, 0.25 ], [ 0.819324254989624, 0.6386485695838928, 0.75 ], [ 0.819324254989624, 0.18067573010921478, 0.75 ], [ 0.18067573010921478, 0.819324254989624, 0.25 ], [ 0.6386485695838928, 0.819324254989624, ...	{ "a": 9.432307243347168, "b": 9.432307243347168, "c": 6.9726338386535645, "alpha": 90, "beta": 90, "gamma": 120 }	194	Cs3V	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_Flm5lLY9iomCawI5mzj7tyEjJp30	[ "B", "C" ]	[ 5, 5, 5, 5, 5, 5, 6, 6 ]	8	2	[ [ 0.1667739450931549, 0.8332260251045227, 0.75 ], [ 0.8332260251045227, 0.1667739450931549, 0.25 ], [ 0.3335478901863098, 0.1667739450931549, 0.25 ], [ 0.6664521098136902, 0.8332260251045227, 0.75 ], [ 0.1667739450931549, 0.3335478901863098, ...	{ "a": 3.453089952468872, "b": 3.453089952468872, "c": 5.9813551902771, "alpha": 90, "beta": 90, "gamma": 120 }	194	B3C	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_321181	[ "Na", "Al" ]	[ 11, 11, 13, 13, 13, 13, 13, 13 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.15720854699611664, 0.3144170939922333, 0.25 ], [ 0.8427914381027222, 0.6855828762054443, 0.75 ], [ 0.8427914381027222, 0.15720854699611664, ...	{ "a": 6.0662641525268555, "b": 6.0662641525268555, "c": 4.79133415222168, "alpha": 90, "beta": 90, "gamma": 120 }	194	NaAl3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_321199	[ "Li", "Pm" ]	[ 3, 3, 61, 61, 61, 61, 61, 61 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.17125025391578674, 0.8287497162818909, 0.25 ], [ 0.8287497162818909, 0.17125025391578674, 0.75 ], [ 0.3425005078315735, 0.17125025391578674,...	{ "a": 7.129852294921875, "b": 7.129852294921875, "c": 5.554792881011963, "alpha": 90, "beta": 90, "gamma": 120 }	194	LiPm3	general_inorganic	true	2	null	null	null	null	[ "li" ]	external_cif_tar
tar:OQMD_321230	[ "Ga", "Se" ]	[ 31, 31, 34, 34, 34, 34, 34, 34 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.19189798831939697, 0.38379597663879395, 0.25 ], [ 0.808102011680603, 0.616204023361206, 0.75 ], [ 0.808102011680603, 0.19189798831939697, ...	{ "a": 6.059913158416748, "b": 6.059913158416748, "c": 6.055589199066162, "alpha": 90, "beta": 90, "gamma": 120 }	194	GaSe3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_321242	[ "K", "Sr" ]	[ 19, 19, 38, 38, 38, 38, 38, 38 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.16345876455307007, 0.32691752910614014, 0.25 ], [ 0.8365412354469299, 0.6730824708938599, 0.75 ], [ 0.8365412354469299, 0.16345876455307007,...	{ "a": 8.662410736083984, "b": 8.662410736083984, "c": 7.075898170471191, "alpha": 90, "beta": 90, "gamma": 120 }	194	KSr3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_321260	[ "Tb", "Os" ]	[ 65, 65, 65, 65, 65, 65, 76, 76 ]	8	2	[ [ 0.18136589229106903, 0.8186340928077698, 0.25 ], [ 0.8186340928077698, 0.18136589229106903, 0.75 ], [ 0.36273178458213806, 0.18136589229106903, 0.75 ], [ 0.6372682452201843, 0.8186340928077698, 0.25 ], [ 0.18136589229106903, 0.362731784582138...	{ "a": 6.900619983673096, "b": 6.900619983673096, "c": 4.782793045043945, "alpha": 90, "beta": 90, "gamma": 120 }	194	Tb3Os	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_321277	[ "Pb", "Bi" ]	[ 83, 83, 82, 82, 82, 82, 82, 82 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.16692498326301575, 0.3338499665260315, 0.25 ], [ 0.8330750465393066, 0.6661500334739685, 0.75 ], [ 0.8330750465393066, 0.16692498326301575, ...	{ "a": 6.915184020996094, "b": 6.915184020996094, "c": 5.649196147918701, "alpha": 90, "beta": 90, "gamma": 120 }	194	BiPb3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_321292	[ "Si", "Sr" ]	[ 38, 38, 14, 14, 14, 14, 14, 14 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.12662021815776825, 0.2532404363155365, 0.25 ], [ 0.8733797669410706, 0.7467595338821411, 0.75 ], [ 0.8733797669410706, 0.12662021815776825, ...	{ "a": 6.496972560882568, "b": 6.496972560882568, "c": 4.6681132316589355, "alpha": 90, "beta": 90, "gamma": 120 }	194	SrSi3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_321309	[ "P", "Er" ]	[ 68, 68, 15, 15, 15, 15, 15, 15 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.19934317469596863, 0.39868634939193726, 0.25 ], [ 0.8006568551063538, 0.6013136506080627, 0.75 ], [ 0.8006568551063538, 0.19934317469596863,...	{ "a": 5.749289035797119, "b": 5.749289035797119, "c": 5.325160026550293, "alpha": 90, "beta": 90, "gamma": 120 }	194	ErP3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_cQDxh7hRj_18hqMcxSstHSWCHm7N	[ "O", "La" ]	[ 57, 57, 57, 57, 57, 57, 8, 8 ]	8	2	[ [ 0.19797340035438538, 0.39594680070877075, 0.25 ], [ 0.802026629447937, 0.6040531992912292, 0.75 ], [ 0.802026629447937, 0.19797340035438538, 0.75 ], [ 0.19797340035438538, 0.802026629447937, 0.25 ], [ 0.6040531992912292, 0.802026629447937, ...	{ "a": 8.273782730102539, "b": 8.273782730102539, "c": 3.3794140815734863, "alpha": 90, "beta": 90, "gamma": 120 }	194	La3O	general_inorganic	false	null	null	null	null	null	[ "oxide" ]	external_cif_tar
tar:OQMD_321343	[ "Zr", "Pd" ]	[ 40, 40, 40, 40, 40, 40, 40, 40, 40, 40, 40, 40, 46, 46, 46, 46 ]	16	2	[ [ 0.7234207391738892, 0.8814433217048645, 0.25 ], [ 0.27657923102378845, 0.11855670064687729, 0.75 ], [ 0.7234207391738892, 0.11855670064687729, 0.75 ], [ 0.27657923102378845, 0.8814433217048645, 0.25 ], [ 0.5, 0.6050679683685303, 0.25 ],...	{ "a": 6.7812957763671875, "b": 10.039704322814941, "c": 4.87557315826416, "alpha": 90, "beta": 90, "gamma": 90 }	63	Zr3Pd	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_321350	[ "Hg", "U" ]	[ 92, 92, 80, 80, 80, 80, 80, 80 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.1658882349729538, 0.3317764699459076, 0.25 ], [ 0.834111750125885, 0.66822350025177, 0.75 ], [ 0.834111750125885, 0.1658882349729538, 0....	{ "a": 6.711460113525391, "b": 6.711460113525391, "c": 5.082059860229492, "alpha": 90, "beta": 90, "gamma": 120 }	194	UHg3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_321364	[ "Pr", "Pt" ]	[ 59, 59, 59, 59, 59, 59, 78, 78 ]	8	2	[ [ 0.17993107438087463, 0.35986214876174927, 0.25 ], [ 0.820068895816803, 0.6401378512382507, 0.75 ], [ 0.820068895816803, 0.17993107438087463, 0.75 ], [ 0.17993107438087463, 0.820068895816803, 0.25 ], [ 0.6401378512382507, 0.820068895816803, ...	{ "a": 7.079904556274414, "b": 7.079904556274414, "c": 5.112220764160156, "alpha": 90, "beta": 90, "gamma": 120 }	194	Pr3Pt	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_321376	[ "V", "Fe" ]	[ 23, 23, 23, 23, 23, 23, 26, 26 ]	8	2	[ [ 0.17161709070205688, 0.34323418140411377, 0.25 ], [ 0.8283829092979431, 0.6567658185958862, 0.75 ], [ 0.8283829092979431, 0.17161709070205688, 0.75 ], [ 0.17161709070205688, 0.8283829092979431, 0.25 ], [ 0.6567658185958862, 0.8283829092979431...	{ "a": 5.0864691734313965, "b": 5.0864691734313965, "c": 4.492404937744141, "alpha": 90, "beta": 90, "gamma": 120 }	194	V3Fe	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_321399	[ "Te", "Tm" ]	[ 69, 69, 69, 69, 69, 69, 52, 52 ]	8	2	[ [ 0.16674838960170746, 0.3334967792034149, 0.25 ], [ 0.8332515954971313, 0.6665031909942627, 0.75 ], [ 0.8332515954971313, 0.16674838960170746, 0.75 ], [ 0.16674838960170746, 0.8332515954971313, 0.25 ], [ 0.6665031909942627, 0.8332515954971313,...	{ "a": 6.751251697540283, "b": 6.751251697540283, "c": 5.480411052703857, "alpha": 90, "beta": 90, "gamma": 120 }	194	Tm3Te	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_321415	[ "P", "Eu" ]	[ 63, 63, 15, 15, 15, 15, 15, 15 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.1327626258134842, 0.2655252516269684, 0.25 ], [ 0.867237389087677, 0.7344747185707092, 0.75 ], [ 0.867237389087677, 0.1327626258134842, ...	{ "a": 5.873536109924316, "b": 5.873536109924316, "c": 5.211111068725586, "alpha": 90, "beta": 90, "gamma": 120 }	194	EuP3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_321424	[ "Sc", "Ru" ]	[ 21, 21, 21, 21, 21, 21, 44, 44 ]	8	2	[ [ 0.17379651963710785, 0.3475930392742157, 0.25 ], [ 0.826203465461731, 0.6524069905281067, 0.75 ], [ 0.826203465461731, 0.17379651963710785, 0.75 ], [ 0.17379651963710785, 0.826203465461731, 0.25 ], [ 0.6524069905281067, 0.826203465461731, ...	{ "a": 6.083316326141357, "b": 6.083316326141357, "c": 4.673354148864746, "alpha": 90, "beta": 90, "gamma": 120 }	194	Sc3Ru	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_leLbxqiFrsZURgObCr5dC6j3P5qS	[ "Y", "Ru" ]	[ 39, 39, 44, 44, 44, 44, 44, 44 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.1556340605020523, 0.3112681210041046, 0.25 ], [ 0.8443659543991089, 0.6887319087982178, 0.75 ], [ 0.8443659543991089, 0.1556340605020523, ...	{ "a": 5.796948432922363, "b": 5.796948432922363, "c": 4.522975921630859, "alpha": 90, "beta": 90, "gamma": 120 }	194	YRu3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_3MrlpQEAAtdFSnomZVIYbe7_4-mm	[ "Yb", "Bi" ]	[ 70, 70, 83, 83, 83, 83, 83, 83 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.17149975895881653, 0.34299951791763306, 0.25 ], [ 0.8285002708435059, 0.6570004820823669, 0.75 ], [ 0.8285002708435059, 0.17149975895881653,...	{ "a": 6.871280670166016, "b": 6.871280670166016, "c": 5.784603595733643, "alpha": 90, "beta": 90, "gamma": 120 }	194	YbBi3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_321474	[ "V", "Pu" ]	[ 94, 94, 94, 94, 94, 94, 23, 23 ]	8	2	[ [ 0.17421261966228485, 0.3484252393245697, 0.25 ], [ 0.825787365436554, 0.6515747308731079, 0.75 ], [ 0.825787365436554, 0.17421261966228485, 0.75 ], [ 0.17421261966228485, 0.825787365436554, 0.25 ], [ 0.6515747308731079, 0.825787365436554, ...	{ "a": 6.3340325355529785, "b": 6.3340325355529785, "c": 5.041563987731934, "alpha": 90, "beta": 90, "gamma": 120 }	194	Pu3V	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_321489	[ "K", "U" ]	[ 19, 19, 92, 92, 92, 92, 92, 92 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.1328132152557373, 0.2656264305114746, 0.25 ], [ 0.8671867847442627, 0.7343735694885254, 0.75 ], [ 0.8671867847442627, 0.1328132152557373, ...	{ "a": 6.812290668487549, "b": 6.812290668487549, "c": 5.308343887329102, "alpha": 90, "beta": 90, "gamma": 120 }	194	KU3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_321521	[ "Cl", "Co" ]	[ 27, 27, 27, 27, 27, 27, 17, 17 ]	8	2	[ [ 0.13746574521064758, 0.27493149042129517, 0.25 ], [ 0.8625342845916748, 0.7250685095787048, 0.75 ], [ 0.8625342845916748, 0.13746574521064758, 0.75 ], [ 0.13746574521064758, 0.8625342845916748, 0.25 ], [ 0.7250685095787048, 0.8625342845916748...	{ "a": 5.874870300292969, "b": 5.874870300292969, "c": 3.861020088195801, "alpha": 90, "beta": 90, "gamma": 120 }	194	Co3Cl	general_inorganic	false	null	null	null	null	null	[ "halide" ]	external_cif_tar
tar:NOMAD_jdNWV6XCO0dwrcRhrlhU7rEqIu4Q	[ "Tb", "Ir" ]	[ 65, 65, 65, 65, 65, 65, 77, 77 ]	8	2	[ [ 0.18186965584754944, 0.818130373954773, 0.25 ], [ 0.818130373954773, 0.18186965584754944, 0.75 ], [ 0.3637393116950989, 0.18186965584754944, 0.75 ], [ 0.6362606883049011, 0.818130373954773, 0.25 ], [ 0.18186965584754944, 0.3637393116950989, ...	{ "a": 6.926109313964844, "b": 6.926109313964844, "c": 4.742508888244629, "alpha": 90, "beta": 90, "gamma": 120 }	194	Tb3Ir	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_321576	[ "Ge", "I" ]	[ 32, 32, 53, 53, 53, 53, 53, 53 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.1942615658044815, 0.388523131608963, 0.25 ], [ 0.8057384490966797, 0.6114768981933594, 0.75 ], [ 0.8057384490966797, 0.1942615658044815, ...	{ "a": 8.99263858795166, "b": 8.99263858795166, "c": 4.210673809051514, "alpha": 90, "beta": 90, "gamma": 120 }	194	GeI3	general_inorganic	false	null	null	null	null	null	[ "halide" ]	external_cif_tar
tar:OQMD_321596	[ "Ca", "Se" ]	[ 20, 20, 20, 20, 20, 20, 34, 34 ]	8	2	[ [ 0.16776125133037567, 0.33552250266075134, 0.25 ], [ 0.8322387337684631, 0.6644774675369263, 0.75 ], [ 0.8322387337684631, 0.16776125133037567, 0.75 ], [ 0.16776125133037567, 0.8322387337684631, 0.25 ], [ 0.6644774675369263, 0.8322387337684631...	{ "a": 6.971674919128418, "b": 6.971674919128418, "c": 6.057103157043457, "alpha": 90, "beta": 90, "gamma": 120 }	194	Ca3Se	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_E38l85GVcpCxjZw-xePs54rNdSdC	[ "Ho", "Tl" ]	[ 67, 67, 81, 81, 81, 81, 81, 81 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.16628339886665344, 0.3325667977333069, 0.25 ], [ 0.8337165713310242, 0.6674332022666931, 0.75 ], [ 0.8337165713310242, 0.16628339886665344, ...	{ "a": 6.656962871551514, "b": 6.656962871551514, "c": 5.353343963623047, "alpha": 90, "beta": 90, "gamma": 120 }	194	HoTl3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_321629	[ "Sn", "Pm" ]	[ 61, 61, 50, 50, 50, 50, 50, 50 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.1621323823928833, 0.3242647647857666, 0.25 ], [ 0.8378676176071167, 0.6757352352142334, 0.75 ], [ 0.8378676176071167, 0.1621323823928833, ...	{ "a": 6.5555009841918945, "b": 6.5555009841918945, "c": 5.768685817718506, "alpha": 90, "beta": 90, "gamma": 120 }	194	PmSn3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_321643	[ "B", "In" ]	[ 49, 49, 5, 5, 5, 5, 5, 5 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.10249564796686172, 0.20499129593372345, 0.25 ], [ 0.8975043296813965, 0.7950087189674377, 0.75 ], [ 0.8975043296813965, 0.10249564796686172,...	{ "a": 5.922308921813965, "b": 5.922308921813965, "c": 3.1241230964660645, "alpha": 90, "beta": 90, "gamma": 120 }	194	InB3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_321658	[ "Cr", "Hf" ]	[ 72, 72, 24, 24, 24, 24, 24, 24 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.13869529962539673, 0.27739059925079346, 0.25 ], [ 0.8613047003746033, 0.7226094007492065, 0.75 ], [ 0.8613047003746033, 0.13869529962539673,...	{ "a": 5.751218318939209, "b": 5.751218318939209, "c": 4.009257793426514, "alpha": 90, "beta": 90, "gamma": 120 }	194	HfCr3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_321676	[ "Li", "Pu" ]	[ 3, 3, 94, 94, 94, 94, 94, 94 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.17008107900619507, 0.34016215801239014, 0.25 ], [ 0.8299189209938049, 0.6598378419876099, 0.75 ], [ 0.8299189209938049, 0.17008107900619507,...	{ "a": 6.573494911193848, "b": 6.573494911193848, "c": 5.095954895019531, "alpha": 90, "beta": 90, "gamma": 120 }	194	LiPu3	general_inorganic	true	2	null	null	null	null	[ "li" ]	external_cif_tar
tar:NOMAD_TwQyS14nJ5t6AUoPf2VUYn-U8w3k	[ "Co", "Br" ]	[ 27, 27, 27, 27, 27, 27, 35, 35 ]	8	2	[ [ 0.13273818790912628, 0.26547637581825256, 0.25 ], [ 0.8672618269920349, 0.734523594379425, 0.75 ], [ 0.8672618269920349, 0.13273818790912628, 0.75 ], [ 0.13273818790912628, 0.8672618269920349, 0.25 ], [ 0.734523594379425, 0.8672618269920349, ...	{ "a": 6.075047969818115, "b": 6.075047969818115, "c": 3.848954677581787, "alpha": 90, "beta": 90, "gamma": 120 }	194	Co3Br	general_inorganic	false	null	null	null	null	null	[ "halide" ]	external_cif_tar
tar:OQMD_321700	[ "Ba", "Gd" ]	[ 56, 56, 56, 56, 56, 56, 64, 64 ]	8	2	[ [ 0.1718796342611313, 0.3437592685222626, 0.25 ], [ 0.8281203508377075, 0.656240701675415, 0.75 ], [ 0.8281203508377075, 0.1718796342611313, 0.75 ], [ 0.1718796342611313, 0.8281203508377075, 0.25 ], [ 0.656240701675415, 0.8281203508377075, ...	{ "a": 8.422149658203125, "b": 8.422149658203125, "c": 6.749934196472168, "alpha": 90, "beta": 90, "gamma": 120 }	194	Ba3Gd	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_ct4YyUcXo6TEYLeDyhehtsXGxluX	[ "Co", "U" ]	[ 92, 92, 27, 27, 27, 27, 27, 27 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.1607038527727127, 0.3214077055454254, 0.25 ], [ 0.8392961621284485, 0.6785922646522522, 0.75 ], [ 0.8392961621284485, 0.1607038527727127, ...	{ "a": 5.264627933502197, "b": 5.264627933502197, "c": 4.3522419929504395, "alpha": 90, "beta": 90, "gamma": 120 }	194	UCo3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_321751	[ "Tc", "Pu" ]	[ 94, 94, 43, 43, 43, 43, 43, 43 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.1669194996356964, 0.3338389992713928, 0.25 ], [ 0.8330804705619812, 0.6661610007286072, 0.75 ], [ 0.8330804705619812, 0.1669194996356964, ...	{ "a": 5.689720153808594, "b": 5.689720153808594, "c": 4.528103828430176, "alpha": 90, "beta": 90, "gamma": 120 }	194	PuTc3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_OHNnUg_PsBH0p4_KzTNfjZyyI0_J	[ "Ti", "Sb" ]	[ 22, 22, 51, 51, 51, 51, 51, 51 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.17902019619941711, 0.35804039239883423, 0.25 ], [ 0.8209798336029053, 0.6419596076011658, 0.75 ], [ 0.8209798336029053, 0.17902019619941711,...	{ "a": 6.498257160186768, "b": 6.498257160186768, "c": 5.344759464263916, "alpha": 90, "beta": 90, "gamma": 120 }	194	TiSb3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_321780	[ "S", "Ag" ]	[ 47, 47, 16, 16, 16, 16, 16, 16 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.21010324358940125, 0.4202064871788025, 0.25 ], [ 0.7898967266082764, 0.5797935128211975, 0.75 ], [ 0.7898967266082764, 0.21010324358940125, ...	{ "a": 6.099771499633789, "b": 6.099771499633789, "c": 5.166172027587891, "alpha": 90, "beta": 90, "gamma": 120 }	194	AgS3	general_inorganic	false	null	null	null	null	null	[ "sulfide" ]	external_cif_tar
tar:OQMD_321795	[ "Cr", "Hf" ]	[ 72, 72, 72, 72, 72, 72, 24, 24 ]	8	2	[ [ 0.17265412211418152, 0.34530824422836304, 0.25 ], [ 0.8273459076881409, 0.654691755771637, 0.75 ], [ 0.8273459076881409, 0.17265412211418152, 0.75 ], [ 0.17265412211418152, 0.8273459076881409, 0.25 ], [ 0.654691755771637, 0.8273459076881409, ...	{ "a": 6.150350570678711, "b": 6.150350570678711, "c": 4.865911960601807, "alpha": 90, "beta": 90, "gamma": 120 }	194	Hf3Cr	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_321828	[ "Si", "Cr" ]	[ 24, 24, 24, 24, 24, 24, 14, 14 ]	8	2	[ [ 0.16296622157096863, 0.32593244314193726, 0.25 ], [ 0.8370338082313538, 0.6740675568580627, 0.75 ], [ 0.8370338082313538, 0.16296622157096863, 0.75 ], [ 0.16296622157096863, 0.8370338082313538, 0.25 ], [ 0.6740675568580627, 0.8370338082313538...	{ "a": 5.041444778442383, "b": 5.041444778442383, "c": 4.246434211730957, "alpha": 90, "beta": 90, "gamma": 120 }	194	Cr3Si	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_321849	[ "Cr", "Pt" ]	[ 24, 24, 78, 78, 78, 78, 78, 78 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.17084021866321564, 0.3416804373264313, 0.25 ], [ 0.8291597962379456, 0.6583195328712463, 0.75 ], [ 0.8291597962379456, 0.17084021866321564, ...	{ "a": 5.394597053527832, "b": 5.394597053527832, "c": 4.406813144683838, "alpha": 90, "beta": 90, "gamma": 120 }	194	CrPt3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_RtElHBAjbzuT9vQ5X9ZD_p2nC_Cf	[ "Ge", "Pu" ]	[ 94, 94, 32, 32, 32, 32, 32, 32 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.151528000831604, 0.303056001663208, 0.25 ], [ 0.848471999168396, 0.696943998336792, 0.75 ], [ 0.848471999168396, 0.151528000831604, 0.75...	{ "a": 6.05386209487915, "b": 6.05386209487915, "c": 4.886037826538086, "alpha": 90, "beta": 90, "gamma": 120 }	194	PuGe3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_321890	[ "Si", "Y" ]	[ 39, 39, 14, 14, 14, 14, 14, 14 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.14070312678813934, 0.2814062535762787, 0.25 ], [ 0.8592968583106995, 0.7185937762260437, 0.75 ], [ 0.8592968583106995, 0.14070312678813934, ...	{ "a": 5.972963809967041, "b": 5.972963809967041, "c": 4.682353973388672, "alpha": 90, "beta": 90, "gamma": 120 }	194	YSi3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_321909	[ "C", "As" ]	[ 33, 33, 33, 33, 33, 33, 6, 6 ]	8	2	[ [ 0.2029467076063156, 0.4058934152126312, 0.25 ], [ 0.7970532774925232, 0.5941066145896912, 0.75 ], [ 0.7970532774925232, 0.2029467076063156, 0.75 ], [ 0.2029467076063156, 0.7970532774925232, 0.25 ], [ 0.5941066145896912, 0.7970532774925232, ...	{ "a": 7.406068325042725, "b": 7.406068325042725, "c": 2.975153923034668, "alpha": 90, "beta": 90, "gamma": 120 }	194	As3C	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_321941	[ "Cr", "Lu" ]	[ 71, 71, 71, 71, 71, 71, 24, 24 ]	8	2	[ [ 0.1733642816543579, 0.3467285633087158, 0.25 ], [ 0.8266357183456421, 0.6532714366912842, 0.75 ], [ 0.8266357183456421, 0.1733642816543579, 0.75 ], [ 0.1733642816543579, 0.8266357183456421, 0.25 ], [ 0.6532714366912842, 0.8266357183456421, ...	{ "a": 6.67955207824707, "b": 6.67955207824707, "c": 5.1291937828063965, "alpha": 90, "beta": 90, "gamma": 120 }	194	Lu3Cr	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_DJfN4PK2pxIxakfzenVac35eMy_x	[ "Mn", "Sb" ]	[ 25, 25, 51, 51, 51, 51, 51, 51 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.17893452942371368, 0.35786905884742737, 0.25 ], [ 0.8210654854774475, 0.642130970954895, 0.75 ], [ 0.8210654854774475, 0.17893452942371368, ...	{ "a": 6.586269378662109, "b": 6.586269378662109, "c": 5.221648693084717, "alpha": 90, "beta": 90, "gamma": 120 }	194	MnSb3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_Rd_r7ycShnrgvjTiQXhCT0Jp7GbJ	[ "O", "La" ]	[ 57, 57, 8, 8, 8, 8, 8, 8 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.19271203875541687, 0.38542407751083374, 0.25 ], [ 0.8072879314422607, 0.6145759224891663, 0.75 ], [ 0.8072879314422607, 0.19271203875541687,...	{ "a": 4.942742347717285, "b": 4.942742347717285, "c": 4.649507999420166, "alpha": 90, "beta": 90, "gamma": 120 }	194	LaO3	general_inorganic	false	null	null	null	null	null	[ "oxide" ]	external_cif_tar
tar:OQMD_321998	[ "S", "Lu" ]	[ 71, 71, 16, 16, 16, 16, 16, 16 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.17370614409446716, 0.3474122881889343, 0.25 ], [ 0.8262938261032104, 0.6525877118110657, 0.75 ], [ 0.8262938261032104, 0.17370614409446716, ...	{ "a": 5.526257038116455, "b": 5.526257038116455, "c": 5.492897033691406, "alpha": 90, "beta": 90, "gamma": 120 }	194	LuS3	general_inorganic	false	null	null	null	null	null	[ "sulfide" ]	external_cif_tar
tar:OQMD_322017	[ "Be", "Cu" ]	[ 4, 4, 29, 29, 29, 29, 29, 29 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.16973407566547394, 0.3394681513309479, 0.25 ], [ 0.8302659392356873, 0.6605318188667297, 0.75 ], [ 0.8302659392356873, 0.16973407566547394, ...	{ "a": 4.907736778259277, "b": 4.907736778259277, "c": 3.9547669887542725, "alpha": 90, "beta": 90, "gamma": 120 }	194	BeCu3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_y_Bbxg3EEi4gdaTfLzzlHWi6qcwj	[ "In", "Gd" ]	[ 64, 64, 49, 49, 49, 49, 49, 49 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.1616145223379135, 0.323229044675827, 0.25 ], [ 0.8383854627609253, 0.6767709255218506, 0.75 ], [ 0.8383854627609253, 0.1616145223379135, ...	{ "a": 6.574954509735107, "b": 6.574954509735107, "c": 5.192362308502197, "alpha": 90, "beta": 90, "gamma": 120 }	194	GdIn3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_322049	[ "K", "Bi" ]	[ 19, 19, 83, 83, 83, 83, 83, 83 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.15083423256874084, 0.3016684651374817, 0.25 ], [ 0.8491657376289368, 0.6983315348625183, 0.75 ], [ 0.8491657376289368, 0.15083423256874084, ...	{ "a": 7.323111534118652, "b": 7.323111534118652, "c": 5.928964138031006, "alpha": 90, "beta": 90, "gamma": 120 }	194	KBi3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_322058	[ "Sb", "Ho" ]	[ 67, 67, 67, 67, 67, 67, 51, 51 ]	8	2	[ [ 0.16955189406871796, 0.3391037881374359, 0.25 ], [ 0.8304480910301208, 0.6608961820602417, 0.75 ], [ 0.8304480910301208, 0.16955189406871796, 0.75 ], [ 0.16955189406871796, 0.8304480910301208, 0.25 ], [ 0.6608961820602417, 0.8304480910301208,...	{ "a": 6.7693772315979, "b": 6.7693772315979, "c": 5.483928203582764, "alpha": 90, "beta": 90, "gamma": 120 }	194	Ho3Sb	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_322076	[ "C", "Gd" ]	[ 64, 64, 64, 64, 64, 64, 6, 6 ]	8	2	[ [ 0.21758157014846802, 0.43516314029693604, 0.25 ], [ 0.782418429851532, 0.564836859703064, 0.75 ], [ 0.782418429851532, 0.21758157014846802, 0.75 ], [ 0.21758157014846802, 0.782418429851532, 0.25 ], [ 0.564836859703064, 0.782418429851532, ...	{ "a": 9.199919700622559, "b": 9.199919700622559, "c": 3.2962470054626465, "alpha": 90, "beta": 90, "gamma": 120 }	194	Gd3C	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_322096	[ "Ga", "Bi" ]	[ 31, 31, 83, 83, 83, 83, 83, 83 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.1698494255542755, 0.339698851108551, 0.25 ], [ 0.8301506042480469, 0.660301148891449, 0.75 ], [ 0.8301506042480469, 0.1698494255542755, ...	{ "a": 6.869668960571289, "b": 6.869668960571289, "c": 5.7425031661987305, "alpha": 90, "beta": 90, "gamma": 120 }	194	GaBi3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_322114	[ "Al", "Ta" ]	[ 73, 73, 73, 73, 73, 73, 13, 13 ]	8	2	[ [ 0.16524024307727814, 0.3304804861545563, 0.25 ], [ 0.8347597718238831, 0.6695194840431213, 0.75 ], [ 0.8347597718238831, 0.16524024307727814, 0.75 ], [ 0.16524024307727814, 0.8347597718238831, 0.25 ], [ 0.6695194840431213, 0.8347597718238831,...	{ "a": 5.8330206871032715, "b": 5.8330206871032715, "c": 4.813558101654053, "alpha": 90, "beta": 90, "gamma": 120 }	194	Ta3Al	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_322124	[ "V", "Ni" ]	[ 23, 23, 28, 28, 28, 28, 28, 28 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.16670134663581848, 0.33340269327163696, 0.25 ], [ 0.8332986235618591, 0.666597306728363, 0.75 ], [ 0.8332986235618591, 0.16670134663581848, ...	{ "a": 4.980215072631836, "b": 4.980215072631836, "c": 4.133883953094482, "alpha": 90, "beta": 90, "gamma": 120 }	194	VNi3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_j0jpv6Ev6Sdjtq0jH-vxO9r5T7Um	[ "Al", "Ir" ]	[ 13, 13, 77, 77, 77, 77, 77, 77 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.75 ], [ 0.17046399414539337, 0.34092798829078674, 0.75 ], [ 0.8295360207557678, 0.6590720415115356, 0.25 ], [ 0.8295360207557678, 0.17046399414539337,...	{ "a": 5.509609699249268, "b": 5.509609699249268, "c": 4.373564720153809, "alpha": 90, "beta": 90, "gamma": 120 }	194	AlIr3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_322156	[ "P", "Tl" ]	[ 81, 81, 81, 81, 81, 81, 15, 15 ]	8	2	[ [ 0.17630349099636078, 0.35260698199272156, 0.25 ], [ 0.823696494102478, 0.6473930478096008, 0.75 ], [ 0.823696494102478, 0.17630349099636078, 0.75 ], [ 0.17630349099636078, 0.823696494102478, 0.25 ], [ 0.6473930478096008, 0.823696494102478, ...	{ "a": 7.107917785644531, "b": 7.107917785644531, "c": 5.02434778213501, "alpha": 90, "beta": 90, "gamma": 120 }	194	Tl3P	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_322172	[ "Mg", "W" ]	[ 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 74, 74, 74, 74 ]	16	2	[ [ 0.24125351011753082, 0.3254641890525818, 0.75 ], [ 0.25874650478363037, 0.17453579604625702, 0.25 ], [ 0.7412534952163696, 0.17453579604625702, 0.25 ], [ 0.7587465047836304, 0.3254641890525818, 0.75 ], [ 0, 0.08054815977811813, 0.75 ], ...	{ "a": 5.925150394439697, "b": 10.83096694946289, "c": 4.725595951080322, "alpha": 90, "beta": 90, "gamma": 90 }	63	Mg3W	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_322185	[ "Ti", "Ge" ]	[ 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 32, 32, 32, 32 ]	16	2	[ [ 0.7238437533378601, 0.9040578007698059, 0.75 ], [ 0.2761562168598175, 0.09594220668077469, 0.25 ], [ 0.7238437533378601, 0.09594220668077469, 0.25 ], [ 0.2761562168598175, 0.9040578007698059, 0.75 ], [ 0.5, 0.6304571628570557, 0.75 ], ...	{ "a": 6.047473907470703, "b": 9.21391773223877, "c": 4.585719108581543, "alpha": 90, "beta": 90, "gamma": 90 }	63	Ti3Ge	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_322195	[ "Sb", "Gd" ]	[ 64, 64, 51, 51, 51, 51, 51, 51 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.17465092241764069, 0.34930184483528137, 0.25 ], [ 0.8253490924835205, 0.6506981253623962, 0.75 ], [ 0.8253490924835205, 0.17465092241764069,...	{ "a": 6.587945938110352, "b": 6.587945938110352, "c": 5.8385138511657715, "alpha": 90, "beta": 90, "gamma": 120 }	194	GdSb3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_322282	[ "Pm", "Ir" ]	[ 61, 61, 61, 61, 61, 61, 77, 77 ]	8	2	[ [ 0.18294577300548553, 0.36589154601097107, 0.25 ], [ 0.8170542120933533, 0.6341084241867065, 0.75 ], [ 0.8170542120933533, 0.18294577300548553, 0.75 ], [ 0.18294577300548553, 0.8170542120933533, 0.25 ], [ 0.6341084241867065, 0.8170542120933533...	{ "a": 7.128582000732422, "b": 7.128582000732422, "c": 4.785730838775635, "alpha": 90, "beta": 90, "gamma": 120 }	194	Pm3Ir	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_322317	[ "Al", "Ho" ]	[ 67, 67, 67, 67, 67, 67, 13, 13 ]	8	2	[ [ 0.17425107955932617, 0.34850215911865234, 0.25 ], [ 0.8257489204406738, 0.6514978408813477, 0.75 ], [ 0.8257489204406738, 0.17425107955932617, 0.75 ], [ 0.17425107955932617, 0.8257489204406738, 0.25 ], [ 0.6514978408813477, 0.8257489204406738...	{ "a": 6.788925647735596, "b": 6.788925647735596, "c": 5.29063606262207, "alpha": 90, "beta": 90, "gamma": 120 }	194	Ho3Al	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_27IBcPhb0OCwhMbiX0vkFACOT-7z	[ "Ni", "Br" ]	[ 28, 28, 35, 35, 35, 35, 35, 35 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.21012280881404877, 0.42024561762809753, 0.25 ], [ 0.78987717628479, 0.5797543525695801, 0.75 ], [ 0.78987717628479, 0.21012280881404877, ...	{ "a": 8.87392520904541, "b": 8.87392520904541, "c": 3.289874315261841, "alpha": 90, "beta": 90, "gamma": 120 }	194	NiBr3	general_inorganic	false	null	null	null	null	null	[ "halide" ]	external_cif_tar
tar:NOMAD_vkVQS4NrDgaQULglkQ1XXQ-A4unt	[ "Ca", "In" ]	[ 20, 20, 49, 49, 49, 49, 49, 49 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.16289836168289185, 0.3257967233657837, 0.25 ], [ 0.8371016383171082, 0.6742032766342163, 0.75 ], [ 0.8371016383171082, 0.16289836168289185, ...	{ "a": 6.62034797668457, "b": 6.62034797668457, "c": 5.29318380355835, "alpha": 90, "beta": 90, "gamma": 120 }	194	CaIn3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_322367	[ "V", "Zr" ]	[ 40, 40, 40, 40, 40, 40, 40, 40, 40, 40, 40, 40, 23, 23, 23, 23 ]	16	2	[ [ 0.7235682606697083, 0.8691108226776123, 0.25 ], [ 0.27643170952796936, 0.1308891773223877, 0.75 ], [ 0.7235682606697083, 0.1308891773223877, 0.75 ], [ 0.27643170952796936, 0.8691108226776123, 0.25 ], [ 0.5, 0.6052188873291016, 0.25 ], ...	{ "a": 7.410051345825195, "b": 10.017078399658203, "c": 4.476338863372803, "alpha": 90, "beta": 90, "gamma": 90 }	63	Zr3V	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_IismkOl3gEl8E3iGlXOw4vq1Vcd7	[ "In", "Sn" ]	[ 49, 49, 49, 49, 49, 49, 50, 50 ]	8	2	[ [ 0.16652561724185944, 0.33305123448371887, 0.25 ], [ 0.8334743976593018, 0.6669487953186035, 0.75 ], [ 0.8334743976593018, 0.16652561724185944, 0.75 ], [ 0.16652561724185944, 0.8334743976593018, 0.25 ], [ 0.6669487953186035, 0.8334743976593018...	{ "a": 6.614046096801758, "b": 6.614046096801758, "c": 5.382280349731445, "alpha": 90, "beta": 90, "gamma": 120 }	194	In3Sn	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_322390	[ "F", "W" ]	[ 74, 74, 9, 9, 9, 9, 9, 9 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.19562554359436035, 0.3912510871887207, 0.25 ], [ 0.8043744564056396, 0.6087489128112793, 0.75 ], [ 0.8043744564056396, 0.19562554359436035, ...	{ "a": 5.640862464904785, "b": 5.640862464904785, "c": 3.252687931060791, "alpha": 90, "beta": 90, "gamma": 120 }	194	WF3	general_inorganic	false	null	null	null	null	null	[ "halide" ]	external_cif_tar
tar:OQMD_322407	[ "O", "Hf" ]	[ 72, 72, 72, 72, 72, 72, 8, 8 ]	8	2	[ [ 0.1669541895389557, 0.3339083790779114, 0.25 ], [ 0.8330457806587219, 0.6660916209220886, 0.75 ], [ 0.8330457806587219, 0.1669541895389557, 0.75 ], [ 0.1669541895389557, 0.8330457806587219, 0.25 ], [ 0.6660916209220886, 0.8330457806587219, ...	{ "a": 5.798465251922607, "b": 5.798465251922607, "c": 4.991160869598389, "alpha": 90, "beta": 90, "gamma": 120 }	194	Hf3O	general_inorganic	false	null	null	null	null	null	[ "oxide" ]	external_cif_tar
tar:OQMD_322425	[ "P", "Dy" ]	[ 66, 66, 15, 15, 15, 15, 15, 15 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.20137226581573486, 0.4027445316314697, 0.25 ], [ 0.7986277341842651, 0.5972554683685303, 0.75 ], [ 0.7986277341842651, 0.20137226581573486, ...	{ "a": 5.8078508377075195, "b": 5.8078508377075195, "c": 5.366353988647461, "alpha": 90, "beta": 90, "gamma": 120 }	194	DyP3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_322436	[ "Mn", "Y" ]	[ 39, 39, 25, 25, 25, 25, 25, 25 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.13760453462600708, 0.27520906925201416, 0.25 ], [ 0.8623954653739929, 0.7247909307479858, 0.75 ], [ 0.8623954653739929, 0.13760453462600708,...	{ "a": 5.787304878234863, "b": 5.787304878234863, "c": 4.292504787445068, "alpha": 90, "beta": 90, "gamma": 120 }	194	YMn3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_322470	[ "Ni", "Tl" ]	[ 81, 81, 81, 81, 81, 81, 28, 28 ]	8	2	[ [ 0.18212667107582092, 0.36425334215164185, 0.25 ], [ 0.8178733587265015, 0.6357466578483582, 0.75 ], [ 0.8178733587265015, 0.18212667107582092, 0.75 ], [ 0.18212667107582092, 0.8178733587265015, 0.25 ], [ 0.6357466578483582, 0.8178733587265015...	{ "a": 7.003082752227783, "b": 7.003082752227783, "c": 4.542679786682129, "alpha": 90, "beta": 90, "gamma": 120 }	194	Tl3Ni	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_322485	[ "O", "Rb" ]	[ 37, 37, 8, 8, 8, 8, 8, 8 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.10259658843278885, 0.2051931768655777, 0.25 ], [ 0.8974034190177917, 0.7948068380355835, 0.75 ], [ 0.8974034190177917, 0.10259658843278885, ...	{ "a": 5.2442626953125, "b": 5.2442626953125, "c": 5.329514026641846, "alpha": 90, "beta": 90, "gamma": 120 }	194	RbO3	general_inorganic	false	null	null	null	null	null	[ "oxide" ]	external_cif_tar
tar:NOMAD_esS7X4dvriZPyWOy4A-6lr_2NFQl	[ "Rb", "Tb" ]	[ 37, 37, 65, 65, 65, 65, 65, 65 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.13856075704097748, 0.27712151408195496, 0.25 ], [ 0.8614392280578613, 0.7228785157203674, 0.75 ], [ 0.8614392280578613, 0.13856075704097748,...	{ "a": 8.31870174407959, "b": 8.31870174407959, "c": 5.64061975479126, "alpha": 90, "beta": 90, "gamma": 120 }	194	RbTb3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_J19LUHIMG1zDcvhJOR3PA5-nW5fd	[ "Mn", "Rb" ]	[ 37, 37, 25, 25, 25, 25, 25, 25 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.12199967354536057, 0.24399934709072113, 0.25 ], [ 0.8780003190040588, 0.7560006380081177, 0.75 ], [ 0.8780003190040588, 0.12199967354536057,...	{ "a": 7.103185176849365, "b": 7.103185176849365, "c": 4.4393391609191895, "alpha": 90, "beta": 90, "gamma": 120 }	194	RbMn3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_322552	[ "Ni", "In" ]	[ 49, 49, 49, 49, 49, 49, 28, 28 ]	8	2	[ [ 0.18226318061351776, 0.3645263612270355, 0.25 ], [ 0.817736804485321, 0.6354736089706421, 0.75 ], [ 0.817736804485321, 0.18226318061351776, 0.75 ], [ 0.18226318061351776, 0.817736804485321, 0.25 ], [ 0.6354736089706421, 0.817736804485321, ...	{ "a": 6.836086273193359, "b": 6.836086273193359, "c": 4.334005832672119, "alpha": 90, "beta": 90, "gamma": 120 }	194	In3Ni	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_DPQDTUD-NEUD30DxKPRRey7kB494	[ "K", "Ta" ]	[ 19, 19, 73, 73, 73, 73, 73, 73 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.11809270083904266, 0.23618540167808533, 0.25 ], [ 0.8819072842597961, 0.7638146281242371, 0.75 ], [ 0.8819072842597961, 0.11809270083904266,...	{ "a": 7.53791618347168, "b": 7.53791618347168, "c": 4.822693824768066, "alpha": 90, "beta": 90, "gamma": 120 }	194	KTa3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_avidLz-TUxphK6MXNhYtmxYvPb9m	[ "Al", "Si" ]	[ 13, 13, 14, 14, 14, 14, 14, 14 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.16646964848041534, 0.3329392969608307, 0.25 ], [ 0.8335303664207458, 0.6670607328414917, 0.75 ], [ 0.8335303664207458, 0.16646964848041534, ...	{ "a": 5.430239677429199, "b": 5.430239677429199, "c": 4.646572589874268, "alpha": 90, "beta": 90, "gamma": 120 }	194	AlSi3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_322614	[ "Br", "Er" ]	[ 68, 68, 68, 68, 68, 68, 35, 35 ]	8	2	[ [ 0.16456642746925354, 0.3291328549385071, 0.25 ], [ 0.8354336023330688, 0.6708671450614929, 0.75 ], [ 0.8354336023330688, 0.16456642746925354, 0.75 ], [ 0.16456642746925354, 0.8354336023330688, 0.25 ], [ 0.6708671450614929, 0.8354336023330688,...	{ "a": 6.787593841552734, "b": 6.787593841552734, "c": 5.773575782775879, "alpha": 90, "beta": 90, "gamma": 120 }	194	Er3Br	general_inorganic	false	null	null	null	null	null	[ "halide" ]	external_cif_tar
tar:OQMD_322630	[ "Al", "Y" ]	[ 39, 39, 39, 39, 39, 39, 13, 13 ]	8	2	[ [ 0.17482338845729828, 0.34964677691459656, 0.25 ], [ 0.8251765966415405, 0.650353193283081, 0.75 ], [ 0.8251765966415405, 0.17482338845729828, 0.75 ], [ 0.17482338845729828, 0.8251765966415405, 0.25 ], [ 0.650353193283081, 0.8251765966415405, ...	{ "a": 6.870636940002441, "b": 6.870636940002441, "c": 5.317646026611328, "alpha": 90, "beta": 90, "gamma": 120 }	194	Y3Al	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_322647	[ "Yb", "Pt" ]	[ 70, 70, 78, 78, 78, 78, 78, 78 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.16276803612709045, 0.3255360722541809, 0.25 ], [ 0.8372319340705872, 0.6744639277458191, 0.75 ], [ 0.8372319340705872, 0.16276803612709045, ...	{ "a": 5.730587005615234, "b": 5.730587005615234, "c": 4.6936469078063965, "alpha": 90, "beta": 90, "gamma": 120 }	194	YbPt3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_PBGzUo33itGoyn5nc1sUZzJAfCP_	[ "N", "Mo" ]	[ 42, 42, 7, 7, 7, 7, 7, 7 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.19621078670024872, 0.39242157340049744, 0.25 ], [ 0.8037891983985901, 0.6075783967971802, 0.75 ], [ 0.8037891983985901, 0.19621078670024872,...	{ "a": 4.565145015716553, "b": 4.565145015716553, "c": 3.899508237838745, "alpha": 90, "beta": 90, "gamma": 120 }	194	MoN3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_322681	[ "F", "Na" ]	[ 11, 11, 11, 11, 11, 11, 9, 9 ]	8	2	[ [ 0.19786423444747925, 0.3957284688949585, 0.25 ], [ 0.8021357655525208, 0.6042715311050415, 0.75 ], [ 0.8021357655525208, 0.19786423444747925, 0.75 ], [ 0.19786423444747925, 0.8021357655525208, 0.25 ], [ 0.6042715311050415, 0.8021357655525208,...	{ "a": 7.220736026763916, "b": 7.220736026763916, "c": 3.548356056213379, "alpha": 90, "beta": 90, "gamma": 120 }	194	Na3F	general_inorganic	false	null	null	null	null	null	[ "halide" ]	external_cif_tar
tar:OQMD_322696	[ "Br", "Rb" ]	[ 37, 37, 35, 35, 35, 35, 35, 35 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.16969910264015198, 0.33939820528030396, 0.25 ], [ 0.8303009271621704, 0.660601794719696, 0.75 ], [ 0.8303009271621704, 0.16969910264015198, ...	{ "a": 6.573856830596924, "b": 6.573856830596924, "c": 6.853738784790039, "alpha": 90, "beta": 90, "gamma": 120 }	194	RbBr3	general_inorganic	false	null	null	null	null	null	[ "halide" ]	external_cif_tar
tar:OQMD_322730	[ "Rh", "La" ]	[ 57, 57, 45, 45, 45, 45, 45, 45 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.15438011288642883, 0.30876022577285767, 0.25 ], [ 0.8456198573112488, 0.6912397742271423, 0.75 ], [ 0.8456198573112488, 0.15438011288642883,...	{ "a": 5.904348850250244, "b": 5.904348850250244, "c": 4.639923095703125, "alpha": 90, "beta": 90, "gamma": 120 }	194	LaRh3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_322747	[ "Mn", "Zr" ]	[ 40, 40, 40, 40, 40, 40, 40, 40, 40, 40, 40, 40, 25, 25, 25, 25 ]	16	2	[ [ 0.7079510688781738, 0.8779513239860535, 0.25 ], [ 0.29204893112182617, 0.12204869091510773, 0.75 ], [ 0.7079510688781738, 0.12204869091510773, 0.75 ], [ 0.29204893112182617, 0.8779513239860535, 0.25 ], [ 0.5, 0.6085712909698486, 0.25 ],...	{ "a": 7.531743049621582, "b": 9.895480155944824, "c": 4.2439069747924805, "alpha": 90, "beta": 90, "gamma": 90 }	63	Zr3Mn	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_322758	[ "N", "Gd" ]	[ 64, 64, 64, 64, 64, 64, 7, 7 ]	8	2	[ [ 0.2156802862882614, 0.7843196988105774, 0.25 ], [ 0.7843196988105774, 0.2156802862882614, 0.75 ], [ 0.4313605725765228, 0.2156802862882614, 0.75 ], [ 0.5686394572257996, 0.7843196988105774, 0.25 ], [ 0.2156802862882614, 0.4313605725765228, ...	{ "a": 8.976166725158691, "b": 8.976166725158691, "c": 3.1847329139709473, "alpha": 90, "beta": 90, "gamma": 120 }	194	Gd3N	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_322774	[ "S", "Ge" ]	[ 32, 32, 16, 16, 16, 16, 16, 16 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.2027483731508255, 0.405496746301651, 0.25 ], [ 0.7972516417503357, 0.5945032835006714, 0.75 ], [ 0.7972516417503357, 0.2027483731508255, ...	{ "a": 6.026727199554443, "b": 6.026727199554443, "c": 4.999537944793701, "alpha": 90, "beta": 90, "gamma": 120 }	194	GeS3	general_inorganic	false	null	null	null	null	null	[ "sulfide" ]	external_cif_tar
tar:NOMAD_Jcgat0xmdCkbK_bQ6a-c6X4VBVzY	[ "Zr", "Np" ]	[ 40, 40, 93, 93, 93, 93, 93, 93 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.1677175611257553, 0.3354351222515106, 0.25 ], [ 0.8322824239730835, 0.6645649075508118, 0.75 ], [ 0.8322824239730835, 0.1677175611257553, ...	{ "a": 6.224063396453857, "b": 6.224063396453857, "c": 5.358204364776611, "alpha": 90, "beta": 90, "gamma": 120 }	194	ZrNp3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_322816	[ "Nd", "U" ]	[ 60, 60, 92, 92, 92, 92, 92, 92 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.14274612069129944, 0.2854922413825989, 0.25 ], [ 0.857253909111023, 0.7145077586174011, 0.75 ], [ 0.857253909111023, 0.14274612069129944, ...	{ "a": 6.504449844360352, "b": 6.504449844360352, "c": 5.40696907043457, "alpha": 90, "beta": 90, "gamma": 120 }	194	NdU3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_322832	[ "Pm", "Th" ]	[ 61, 61, 61, 61, 61, 61, 90, 90 ]	8	2	[ [ 0.16809767484664917, 0.33619534969329834, 0.25 ], [ 0.8319023251533508, 0.6638046503067017, 0.75 ], [ 0.8319023251533508, 0.16809767484664917, 0.75 ], [ 0.16809767484664917, 0.8319023251533508, 0.25 ], [ 0.6638046503067017, 0.8319023251533508...	{ "a": 7.2825398445129395, "b": 7.2825398445129395, "c": 5.941489219665527, "alpha": 90, "beta": 90, "gamma": 120 }	194	Pm3Th	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_322848	[ "O", "F" ]	[ 8, 8, 9, 9, 9, 9, 9, 9 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.1883273422718048, 0.3766546845436096, 0.25 ], [ 0.8116726279258728, 0.6233453154563904, 0.75 ], [ 0.8116726279258728, 0.1883273422718048, ...	{ "a": 5.288527965545654, "b": 5.288527965545654, "c": 2.763895034790039, "alpha": 90, "beta": 90, "gamma": 120 }	194	OF3	general_inorganic	false	null	null	null	null	null	[ "oxide", "halide" ]	external_cif_tar
tar:OQMD_322863	[ "Ni", "W" ]	[ 28, 28, 74, 74, 74, 74, 74, 74 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.16524824500083923, 0.33049649000167847, 0.25 ], [ 0.8347517251968384, 0.6695035099983215, 0.75 ], [ 0.8347517251968384, 0.16524824500083923,...	{ "a": 5.55135440826416, "b": 5.55135440826416, "c": 4.4726738929748535, "alpha": 90, "beta": 90, "gamma": 120 }	194	NiW3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_322886	[ "Sr", "Mo" ]	[ 38, 38, 38, 38, 38, 38, 42, 42 ]	8	2	[ [ 0.17668567597866058, 0.35337135195732117, 0.25 ], [ 0.8233143091201782, 0.6466286778450012, 0.75 ], [ 0.8233143091201782, 0.17668567597866058, 0.75 ], [ 0.17668567597866058, 0.8233143091201782, 0.25 ], [ 0.6466286778450012, 0.8233143091201782...	{ "a": 7.672048091888428, "b": 7.672048091888428, "c": 5.9249677658081055, "alpha": 90, "beta": 90, "gamma": 120 }	194	Sr3Mo	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_CYjBYrOwTQGHe3IlPX5GoD2whEaM	[ "Be", "Np" ]	[ 93, 93, 93, 93, 93, 93, 4, 4 ]	8	2	[ [ 0.17960789799690247, 0.35921579599380493, 0.25 ], [ 0.8203920722007751, 0.6407842040061951, 0.75 ], [ 0.8203920722007751, 0.17960789799690247, 0.75 ], [ 0.17960789799690247, 0.8203920722007751, 0.25 ], [ 0.6407842040061951, 0.8203920722007751...	{ "a": 5.815766334533691, "b": 5.815766334533691, "c": 4.360220432281494, "alpha": 90, "beta": 90, "gamma": 120 }	194	Np3Be	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_322917	[ "V", "Tc" ]	[ 23, 23, 23, 23, 23, 23, 43, 43 ]	8	2	[ [ 0.16701991856098175, 0.3340398371219635, 0.25 ], [ 0.8329800963401794, 0.6659601330757141, 0.75 ], [ 0.8329800963401794, 0.16701991856098175, 0.75 ], [ 0.16701991856098175, 0.8329800963401794, 0.25 ], [ 0.6659601330757141, 0.8329800963401794,...	{ "a": 5.2104387283325195, "b": 5.2104387283325195, "c": 4.694593906402588, "alpha": 90, "beta": 90, "gamma": 120 }	194	V3Tc	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_322934	[ "F", "Se" ]	[ 34, 34, 9, 9, 9, 9, 9, 9 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.193320631980896, 0.386641263961792, 0.25 ], [ 0.806679368019104, 0.613358736038208, 0.75 ], [ 0.806679368019104, 0.193320631980896, 0.75...	{ "a": 5.636099338531494, "b": 5.636099338531494, "c": 3.283094882965088, "alpha": 90, "beta": 90, "gamma": 120 }	194	SeF3	general_inorganic	false	null	null	null	null	null	[ "halide" ]	external_cif_tar
tar:NOMAD_93gLIBS2nJp7lQpgZjaa2laApuM6	[ "Si", "Th" ]	[ 90, 90, 14, 14, 14, 14, 14, 14 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.13800399005413055, 0.2760079801082611, 0.25 ], [ 0.8619959950447083, 0.7239920496940613, 0.75 ], [ 0.8619959950447083, 0.13800399005413055, ...	{ "a": 6.149330139160156, "b": 6.149330139160156, "c": 4.547920227050781, "alpha": 90, "beta": 90, "gamma": 120 }	194	ThSi3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_322971	[ "S", "Pd" ]	[ 46, 46, 46, 46, 46, 46, 16, 16 ]	8	2	[ [ 0.17755819857120514, 0.3551163971424103, 0.25 ], [ 0.822441816329956, 0.6448835730552673, 0.75 ], [ 0.822441816329956, 0.17755819857120514, 0.75 ], [ 0.17755819857120514, 0.822441816329956, 0.25 ], [ 0.6448835730552673, 0.822441816329956, ...	{ "a": 6.041012287139893, "b": 6.041012287139893, "c": 3.888892889022827, "alpha": 90, "beta": 90, "gamma": 120 }	194	Pd3S	general_inorganic	false	null	null	null	null	null	[ "sulfide" ]	external_cif_tar

tar:OQMD_321120

[ "Nd", "Bi" ]

[ 60, 60, 60, 60, 60, 60, 83, 83 ]

8

2

[ [ 0.1714712679386139, 0.3429425358772278, 0.25 ], [ 0.8285287022590637, 0.6570574641227722, 0.75 ], [ 0.8285287022590637, 0.1714712679386139, 0.75 ], [ 0.1714712679386139, 0.8285287022590637, 0.25 ], [ 0.6570574641227722, 0.8285287022590637, ...

{ "a": 7.055444717407227, "b": 7.055444717407227, "c": 5.7989091873168945, "alpha": 90, "beta": 90, "gamma": 120 }

194

Nd3Bi

general_inorganic

false

null

external_cif_tar

tar:OQMD_321136

[ "Zr", "U" ]

[ 40, 40, 40, 40, 40, 40, 40, 40, 40, 40, 40, 40, 92, 92, 92, 92 ]

16

2

[ [ 0.2499137967824936, 0.3147633373737335, 0.75 ], [ 0.2500861883163452, 0.18523666262626648, 0.25 ], [ 0.7499138116836548, 0.18523666262626648, 0.25 ], [ 0.7500861883163452, 0.3147633373737335, 0.75 ], [ 0, 0.07288438081741333, 0.75 ], ...

{ "a": 6.141858100891113, "b": 11.67282772064209, "c": 5.1008501052856445, "alpha": 90, "beta": 90, "gamma": 90 }

63

Zr3U

general_inorganic

false

null

external_cif_tar

tar:OQMD_321150

[ "V", "Cs" ]

[ 55, 55, 55, 55, 55, 55, 23, 23 ]

8

2

[ [ 0.18067573010921478, 0.36135146021842957, 0.25 ], [ 0.819324254989624, 0.6386485695838928, 0.75 ], [ 0.819324254989624, 0.18067573010921478, 0.75 ], [ 0.18067573010921478, 0.819324254989624, 0.25 ], [ 0.6386485695838928, 0.819324254989624, ...

{ "a": 9.432307243347168, "b": 9.432307243347168, "c": 6.9726338386535645, "alpha": 90, "beta": 90, "gamma": 120 }

194

Cs3V

general_inorganic

false

null

external_cif_tar

tar:NOMAD_Flm5lLY9iomCawI5mzj7tyEjJp30

[ "B", "C" ]

[ 5, 5, 5, 5, 5, 5, 6, 6 ]

8

2

[ [ 0.1667739450931549, 0.8332260251045227, 0.75 ], [ 0.8332260251045227, 0.1667739450931549, 0.25 ], [ 0.3335478901863098, 0.1667739450931549, 0.25 ], [ 0.6664521098136902, 0.8332260251045227, 0.75 ], [ 0.1667739450931549, 0.3335478901863098, ...

{ "a": 3.453089952468872, "b": 3.453089952468872, "c": 5.9813551902771, "alpha": 90, "beta": 90, "gamma": 120 }

194

B3C

general_inorganic

false

null

external_cif_tar

tar:OQMD_321181

[ "Na", "Al" ]

[ 11, 11, 13, 13, 13, 13, 13, 13 ]

8

2

[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.15720854699611664, 0.3144170939922333, 0.25 ], [ 0.8427914381027222, 0.6855828762054443, 0.75 ], [ 0.8427914381027222, 0.15720854699611664, ...

{ "a": 6.0662641525268555, "b": 6.0662641525268555, "c": 4.79133415222168, "alpha": 90, "beta": 90, "gamma": 120 }

194

NaAl3

general_inorganic

false

null

external_cif_tar

tar:OQMD_321199

[ "Li", "Pm" ]

[ 3, 3, 61, 61, 61, 61, 61, 61 ]

8

2

[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.17125025391578674, 0.8287497162818909, 0.25 ], [ 0.8287497162818909, 0.17125025391578674, 0.75 ], [ 0.3425005078315735, 0.17125025391578674,...

{ "a": 7.129852294921875, "b": 7.129852294921875, "c": 5.554792881011963, "alpha": 90, "beta": 90, "gamma": 120 }

194

LiPm3

general_inorganic

true

2

null

[ "li" ]

external_cif_tar

tar:OQMD_321230

[ "Ga", "Se" ]

[ 31, 31, 34, 34, 34, 34, 34, 34 ]

8

2

[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.19189798831939697, 0.38379597663879395, 0.25 ], [ 0.808102011680603, 0.616204023361206, 0.75 ], [ 0.808102011680603, 0.19189798831939697, ...

{ "a": 6.059913158416748, "b": 6.059913158416748, "c": 6.055589199066162, "alpha": 90, "beta": 90, "gamma": 120 }

194

GaSe3

general_inorganic

false

null

external_cif_tar

tar:OQMD_321242

[ "K", "Sr" ]

[ 19, 19, 38, 38, 38, 38, 38, 38 ]

8

2

[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.16345876455307007, 0.32691752910614014, 0.25 ], [ 0.8365412354469299, 0.6730824708938599, 0.75 ], [ 0.8365412354469299, 0.16345876455307007,...

{ "a": 8.662410736083984, "b": 8.662410736083984, "c": 7.075898170471191, "alpha": 90, "beta": 90, "gamma": 120 }

194

KSr3

general_inorganic

false

null

external_cif_tar

tar:OQMD_321260

[ "Tb", "Os" ]

[ 65, 65, 65, 65, 65, 65, 76, 76 ]

8

2

[ [ 0.18136589229106903, 0.8186340928077698, 0.25 ], [ 0.8186340928077698, 0.18136589229106903, 0.75 ], [ 0.36273178458213806, 0.18136589229106903, 0.75 ], [ 0.6372682452201843, 0.8186340928077698, 0.25 ], [ 0.18136589229106903, 0.362731784582138...

{ "a": 6.900619983673096, "b": 6.900619983673096, "c": 4.782793045043945, "alpha": 90, "beta": 90, "gamma": 120 }

194

Tb3Os

general_inorganic

false

null

external_cif_tar

tar:OQMD_321277

[ "Pb", "Bi" ]

[ 83, 83, 82, 82, 82, 82, 82, 82 ]

8

2

[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.16692498326301575, 0.3338499665260315, 0.25 ], [ 0.8330750465393066, 0.6661500334739685, 0.75 ], [ 0.8330750465393066, 0.16692498326301575, ...

{ "a": 6.915184020996094, "b": 6.915184020996094, "c": 5.649196147918701, "alpha": 90, "beta": 90, "gamma": 120 }

194

BiPb3

general_inorganic

false

null

external_cif_tar

tar:OQMD_321292

[ "Si", "Sr" ]

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

8

2

[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.12662021815776825, 0.2532404363155365, 0.25 ], [ 0.8733797669410706, 0.7467595338821411, 0.75 ], [ 0.8733797669410706, 0.12662021815776825, ...

{ "a": 6.496972560882568, "b": 6.496972560882568, "c": 4.6681132316589355, "alpha": 90, "beta": 90, "gamma": 120 }

194

SrSi3

general_inorganic

false

null

external_cif_tar

tar:OQMD_321309

[ "P", "Er" ]

[ 68, 68, 15, 15, 15, 15, 15, 15 ]

8

2

[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.19934317469596863, 0.39868634939193726, 0.25 ], [ 0.8006568551063538, 0.6013136506080627, 0.75 ], [ 0.8006568551063538, 0.19934317469596863,...

{ "a": 5.749289035797119, "b": 5.749289035797119, "c": 5.325160026550293, "alpha": 90, "beta": 90, "gamma": 120 }

194

ErP3

general_inorganic

false

null

external_cif_tar

tar:NOMAD_cQDxh7hRj_18hqMcxSstHSWCHm7N

[ "O", "La" ]

[ 57, 57, 57, 57, 57, 57, 8, 8 ]

8

2

[ [ 0.19797340035438538, 0.39594680070877075, 0.25 ], [ 0.802026629447937, 0.6040531992912292, 0.75 ], [ 0.802026629447937, 0.19797340035438538, 0.75 ], [ 0.19797340035438538, 0.802026629447937, 0.25 ], [ 0.6040531992912292, 0.802026629447937, ...

{ "a": 8.273782730102539, "b": 8.273782730102539, "c": 3.3794140815734863, "alpha": 90, "beta": 90, "gamma": 120 }

194

La3O

general_inorganic

false

null

[ "oxide" ]

external_cif_tar

tar:OQMD_321343

[ "Zr", "Pd" ]

[ 40, 40, 40, 40, 40, 40, 40, 40, 40, 40, 40, 40, 46, 46, 46, 46 ]

16

2

[ [ 0.7234207391738892, 0.8814433217048645, 0.25 ], [ 0.27657923102378845, 0.11855670064687729, 0.75 ], [ 0.7234207391738892, 0.11855670064687729, 0.75 ], [ 0.27657923102378845, 0.8814433217048645, 0.25 ], [ 0.5, 0.6050679683685303, 0.25 ],...

{ "a": 6.7812957763671875, "b": 10.039704322814941, "c": 4.87557315826416, "alpha": 90, "beta": 90, "gamma": 90 }

63

Zr3Pd

general_inorganic

false

null

external_cif_tar

tar:OQMD_321350

[ "Hg", "U" ]

[ 92, 92, 80, 80, 80, 80, 80, 80 ]

8

2

[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.1658882349729538, 0.3317764699459076, 0.25 ], [ 0.834111750125885, 0.66822350025177, 0.75 ], [ 0.834111750125885, 0.1658882349729538, 0....

{ "a": 6.711460113525391, "b": 6.711460113525391, "c": 5.082059860229492, "alpha": 90, "beta": 90, "gamma": 120 }

194

UHg3

general_inorganic

false

null

external_cif_tar

tar:OQMD_321364

[ "Pr", "Pt" ]

[ 59, 59, 59, 59, 59, 59, 78, 78 ]

8

2

[ [ 0.17993107438087463, 0.35986214876174927, 0.25 ], [ 0.820068895816803, 0.6401378512382507, 0.75 ], [ 0.820068895816803, 0.17993107438087463, 0.75 ], [ 0.17993107438087463, 0.820068895816803, 0.25 ], [ 0.6401378512382507, 0.820068895816803, ...

{ "a": 7.079904556274414, "b": 7.079904556274414, "c": 5.112220764160156, "alpha": 90, "beta": 90, "gamma": 120 }

194

Pr3Pt

general_inorganic

false

null

external_cif_tar

tar:OQMD_321376

[ "V", "Fe" ]

[ 23, 23, 23, 23, 23, 23, 26, 26 ]

8

2

[ [ 0.17161709070205688, 0.34323418140411377, 0.25 ], [ 0.8283829092979431, 0.6567658185958862, 0.75 ], [ 0.8283829092979431, 0.17161709070205688, 0.75 ], [ 0.17161709070205688, 0.8283829092979431, 0.25 ], [ 0.6567658185958862, 0.8283829092979431...

{ "a": 5.0864691734313965, "b": 5.0864691734313965, "c": 4.492404937744141, "alpha": 90, "beta": 90, "gamma": 120 }

194

V3Fe

general_inorganic

false

null

external_cif_tar

tar:OQMD_321399

[ "Te", "Tm" ]

[ 69, 69, 69, 69, 69, 69, 52, 52 ]

8

2

[ [ 0.16674838960170746, 0.3334967792034149, 0.25 ], [ 0.8332515954971313, 0.6665031909942627, 0.75 ], [ 0.8332515954971313, 0.16674838960170746, 0.75 ], [ 0.16674838960170746, 0.8332515954971313, 0.25 ], [ 0.6665031909942627, 0.8332515954971313,...

{ "a": 6.751251697540283, "b": 6.751251697540283, "c": 5.480411052703857, "alpha": 90, "beta": 90, "gamma": 120 }

194

Tm3Te

general_inorganic

false

null

external_cif_tar

tar:OQMD_321415

[ "P", "Eu" ]

[ 63, 63, 15, 15, 15, 15, 15, 15 ]

8

2

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194

EuP3

general_inorganic

false

null

external_cif_tar

tar:OQMD_321424

[ "Sc", "Ru" ]

[ 21, 21, 21, 21, 21, 21, 44, 44 ]

8

2

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194

Sc3Ru

general_inorganic

false

null

external_cif_tar

tar:NOMAD_leLbxqiFrsZURgObCr5dC6j3P5qS

[ "Y", "Ru" ]

[ 39, 39, 44, 44, 44, 44, 44, 44 ]

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194

YRu3

general_inorganic

false

null

external_cif_tar

tar:NOMAD_3MrlpQEAAtdFSnomZVIYbe7_4-mm

[ "Yb", "Bi" ]

[ 70, 70, 83, 83, 83, 83, 83, 83 ]

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2

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194

YbBi3

general_inorganic

false

null

external_cif_tar

tar:OQMD_321474

[ "V", "Pu" ]

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

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2

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194

Pu3V

general_inorganic

false

null

external_cif_tar

tar:OQMD_321489

[ "K", "U" ]

[ 19, 19, 92, 92, 92, 92, 92, 92 ]

8

2

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194

KU3

general_inorganic

false

null

external_cif_tar

tar:OQMD_321521

[ "Cl", "Co" ]

[ 27, 27, 27, 27, 27, 27, 17, 17 ]

8

2

[ [ 0.13746574521064758, 0.27493149042129517, 0.25 ], [ 0.8625342845916748, 0.7250685095787048, 0.75 ], [ 0.8625342845916748, 0.13746574521064758, 0.75 ], [ 0.13746574521064758, 0.8625342845916748, 0.25 ], [ 0.7250685095787048, 0.8625342845916748...

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194

Co3Cl

general_inorganic

false

null

[ "halide" ]

external_cif_tar

tar:NOMAD_jdNWV6XCO0dwrcRhrlhU7rEqIu4Q

[ "Tb", "Ir" ]

[ 65, 65, 65, 65, 65, 65, 77, 77 ]

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2

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194

Tb3Ir

general_inorganic

false

null

external_cif_tar

tar:OQMD_321576

[ "Ge", "I" ]

[ 32, 32, 53, 53, 53, 53, 53, 53 ]

8

2

[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.1942615658044815, 0.388523131608963, 0.25 ], [ 0.8057384490966797, 0.6114768981933594, 0.75 ], [ 0.8057384490966797, 0.1942615658044815, ...

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194

GeI3

general_inorganic

false

null

[ "halide" ]

external_cif_tar

tar:OQMD_321596

[ "Ca", "Se" ]

[ 20, 20, 20, 20, 20, 20, 34, 34 ]

8

2

[ [ 0.16776125133037567, 0.33552250266075134, 0.25 ], [ 0.8322387337684631, 0.6644774675369263, 0.75 ], [ 0.8322387337684631, 0.16776125133037567, 0.75 ], [ 0.16776125133037567, 0.8322387337684631, 0.25 ], [ 0.6644774675369263, 0.8322387337684631...

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194

Ca3Se

general_inorganic

false

null

external_cif_tar

tar:NOMAD_E38l85GVcpCxjZw-xePs54rNdSdC

[ "Ho", "Tl" ]

[ 67, 67, 81, 81, 81, 81, 81, 81 ]

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2

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194

HoTl3

general_inorganic

false

null

external_cif_tar

tar:OQMD_321629

[ "Sn", "Pm" ]

[ 61, 61, 50, 50, 50, 50, 50, 50 ]

8

2

[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.1621323823928833, 0.3242647647857666, 0.25 ], [ 0.8378676176071167, 0.6757352352142334, 0.75 ], [ 0.8378676176071167, 0.1621323823928833, ...

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194

PmSn3

general_inorganic

false

null

external_cif_tar

tar:OQMD_321643

[ "B", "In" ]

[ 49, 49, 5, 5, 5, 5, 5, 5 ]

8

2

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194

InB3

general_inorganic

false

null

external_cif_tar

tar:OQMD_321658

[ "Cr", "Hf" ]

[ 72, 72, 24, 24, 24, 24, 24, 24 ]

8

2

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194

HfCr3

general_inorganic

false

null

external_cif_tar

tar:OQMD_321676

[ "Li", "Pu" ]

[ 3, 3, 94, 94, 94, 94, 94, 94 ]

8

2

[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.17008107900619507, 0.34016215801239014, 0.25 ], [ 0.8299189209938049, 0.6598378419876099, 0.75 ], [ 0.8299189209938049, 0.17008107900619507,...

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194

LiPu3

general_inorganic

true

2

null

[ "li" ]

external_cif_tar

tar:NOMAD_TwQyS14nJ5t6AUoPf2VUYn-U8w3k

[ "Co", "Br" ]

[ 27, 27, 27, 27, 27, 27, 35, 35 ]

8

2

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194

Co3Br

general_inorganic

false

null

[ "halide" ]

external_cif_tar

tar:OQMD_321700

[ "Ba", "Gd" ]

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

8

2

[ [ 0.1718796342611313, 0.3437592685222626, 0.25 ], [ 0.8281203508377075, 0.656240701675415, 0.75 ], [ 0.8281203508377075, 0.1718796342611313, 0.75 ], [ 0.1718796342611313, 0.8281203508377075, 0.25 ], [ 0.656240701675415, 0.8281203508377075, ...

{ "a": 8.422149658203125, "b": 8.422149658203125, "c": 6.749934196472168, "alpha": 90, "beta": 90, "gamma": 120 }

194

Ba3Gd

general_inorganic

false

null

external_cif_tar

tar:NOMAD_ct4YyUcXo6TEYLeDyhehtsXGxluX

[ "Co", "U" ]

[ 92, 92, 27, 27, 27, 27, 27, 27 ]

8

2

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{ "a": 5.264627933502197, "b": 5.264627933502197, "c": 4.3522419929504395, "alpha": 90, "beta": 90, "gamma": 120 }

194

UCo3

general_inorganic

false

null

external_cif_tar

tar:OQMD_321751

[ "Tc", "Pu" ]

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

8

2

[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.1669194996356964, 0.3338389992713928, 0.25 ], [ 0.8330804705619812, 0.6661610007286072, 0.75 ], [ 0.8330804705619812, 0.1669194996356964, ...

{ "a": 5.689720153808594, "b": 5.689720153808594, "c": 4.528103828430176, "alpha": 90, "beta": 90, "gamma": 120 }

194

PuTc3

general_inorganic

false

null

external_cif_tar

tar:NOMAD_OHNnUg_PsBH0p4_KzTNfjZyyI0_J

[ "Ti", "Sb" ]

[ 22, 22, 51, 51, 51, 51, 51, 51 ]

8

2

[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.17902019619941711, 0.35804039239883423, 0.25 ], [ 0.8209798336029053, 0.6419596076011658, 0.75 ], [ 0.8209798336029053, 0.17902019619941711,...

{ "a": 6.498257160186768, "b": 6.498257160186768, "c": 5.344759464263916, "alpha": 90, "beta": 90, "gamma": 120 }

194

TiSb3

general_inorganic

false

null

external_cif_tar

tar:OQMD_321780

[ "S", "Ag" ]

[ 47, 47, 16, 16, 16, 16, 16, 16 ]

8

2

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194

AgS3

general_inorganic

false

null

[ "sulfide" ]

external_cif_tar

tar:OQMD_321795

[ "Cr", "Hf" ]

[ 72, 72, 72, 72, 72, 72, 24, 24 ]

8

2

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194

Hf3Cr

general_inorganic

false

null

external_cif_tar

tar:OQMD_321828

[ "Si", "Cr" ]

[ 24, 24, 24, 24, 24, 24, 14, 14 ]

8

2

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194

Cr3Si

general_inorganic

false

null

external_cif_tar

tar:OQMD_321849

[ "Cr", "Pt" ]

[ 24, 24, 78, 78, 78, 78, 78, 78 ]

8

2

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194

CrPt3

general_inorganic

false

null

external_cif_tar

tar:NOMAD_RtElHBAjbzuT9vQ5X9ZD_p2nC_Cf

[ "Ge", "Pu" ]

[ 94, 94, 32, 32, 32, 32, 32, 32 ]

8

2

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194

PuGe3

general_inorganic

false

null

external_cif_tar

tar:OQMD_321890

[ "Si", "Y" ]

[ 39, 39, 14, 14, 14, 14, 14, 14 ]

8

2

[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.14070312678813934, 0.2814062535762787, 0.25 ], [ 0.8592968583106995, 0.7185937762260437, 0.75 ], [ 0.8592968583106995, 0.14070312678813934, ...

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194

YSi3

general_inorganic

false

null

external_cif_tar

tar:OQMD_321909

[ "C", "As" ]

[ 33, 33, 33, 33, 33, 33, 6, 6 ]

8

2

[ [ 0.2029467076063156, 0.4058934152126312, 0.25 ], [ 0.7970532774925232, 0.5941066145896912, 0.75 ], [ 0.7970532774925232, 0.2029467076063156, 0.75 ], [ 0.2029467076063156, 0.7970532774925232, 0.25 ], [ 0.5941066145896912, 0.7970532774925232, ...

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194

As3C

general_inorganic

false

null

external_cif_tar

tar:OQMD_321941

[ "Cr", "Lu" ]

[ 71, 71, 71, 71, 71, 71, 24, 24 ]

8

2

[ [ 0.1733642816543579, 0.3467285633087158, 0.25 ], [ 0.8266357183456421, 0.6532714366912842, 0.75 ], [ 0.8266357183456421, 0.1733642816543579, 0.75 ], [ 0.1733642816543579, 0.8266357183456421, 0.25 ], [ 0.6532714366912842, 0.8266357183456421, ...

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194

Lu3Cr

general_inorganic

false

null

external_cif_tar

tar:NOMAD_DJfN4PK2pxIxakfzenVac35eMy_x

[ "Mn", "Sb" ]

[ 25, 25, 51, 51, 51, 51, 51, 51 ]

8

2

[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.17893452942371368, 0.35786905884742737, 0.25 ], [ 0.8210654854774475, 0.642130970954895, 0.75 ], [ 0.8210654854774475, 0.17893452942371368, ...

{ "a": 6.586269378662109, "b": 6.586269378662109, "c": 5.221648693084717, "alpha": 90, "beta": 90, "gamma": 120 }

194

MnSb3

general_inorganic

false

null

external_cif_tar

tar:NOMAD_Rd_r7ycShnrgvjTiQXhCT0Jp7GbJ

[ "O", "La" ]

[ 57, 57, 8, 8, 8, 8, 8, 8 ]

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2

[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.19271203875541687, 0.38542407751083374, 0.25 ], [ 0.8072879314422607, 0.6145759224891663, 0.75 ], [ 0.8072879314422607, 0.19271203875541687,...

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194

LaO3

general_inorganic

false

null

[ "oxide" ]

external_cif_tar

tar:OQMD_321998

[ "S", "Lu" ]

[ 71, 71, 16, 16, 16, 16, 16, 16 ]

8

2

[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.17370614409446716, 0.3474122881889343, 0.25 ], [ 0.8262938261032104, 0.6525877118110657, 0.75 ], [ 0.8262938261032104, 0.17370614409446716, ...

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194

LuS3

general_inorganic

false

null

[ "sulfide" ]

external_cif_tar

tar:OQMD_322017

[ "Be", "Cu" ]

[ 4, 4, 29, 29, 29, 29, 29, 29 ]

8

2

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194

BeCu3

general_inorganic

false

null

external_cif_tar

tar:NOMAD_y_Bbxg3EEi4gdaTfLzzlHWi6qcwj

[ "In", "Gd" ]

[ 64, 64, 49, 49, 49, 49, 49, 49 ]

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194

GdIn3

general_inorganic

false

null

external_cif_tar

tar:OQMD_322049

[ "K", "Bi" ]

[ 19, 19, 83, 83, 83, 83, 83, 83 ]

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2

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194

KBi3

general_inorganic

false

null

external_cif_tar

tar:OQMD_322058

[ "Sb", "Ho" ]

[ 67, 67, 67, 67, 67, 67, 51, 51 ]

8

2

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194

Ho3Sb

general_inorganic

false

null

external_cif_tar

tar:OQMD_322076

[ "C", "Gd" ]

[ 64, 64, 64, 64, 64, 64, 6, 6 ]

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2

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194

Gd3C

general_inorganic

false

null

external_cif_tar

tar:OQMD_322096

[ "Ga", "Bi" ]

[ 31, 31, 83, 83, 83, 83, 83, 83 ]

8

2

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194

GaBi3

general_inorganic

false

null

external_cif_tar

tar:OQMD_322114

[ "Al", "Ta" ]

[ 73, 73, 73, 73, 73, 73, 13, 13 ]

8

2

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194

Ta3Al

general_inorganic

false

null

external_cif_tar

tar:OQMD_322124

[ "V", "Ni" ]

[ 23, 23, 28, 28, 28, 28, 28, 28 ]

8

2

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194

VNi3

general_inorganic

false

null

external_cif_tar

tar:NOMAD_j0jpv6Ev6Sdjtq0jH-vxO9r5T7Um

[ "Al", "Ir" ]

[ 13, 13, 77, 77, 77, 77, 77, 77 ]

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2

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194

AlIr3

general_inorganic

false

null

external_cif_tar

tar:OQMD_322156

[ "P", "Tl" ]

[ 81, 81, 81, 81, 81, 81, 15, 15 ]

8

2

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194

Tl3P

general_inorganic

false

null

external_cif_tar

tar:OQMD_322172

[ "Mg", "W" ]

[ 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 74, 74, 74, 74 ]

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2

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63

Mg3W

general_inorganic

false

null

external_cif_tar

tar:OQMD_322185

[ "Ti", "Ge" ]

[ 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 32, 32, 32, 32 ]

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2

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63

Ti3Ge

general_inorganic

false

null

external_cif_tar

tar:OQMD_322195

[ "Sb", "Gd" ]

[ 64, 64, 51, 51, 51, 51, 51, 51 ]

8

2

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194

GdSb3

general_inorganic

false

null

external_cif_tar

tar:OQMD_322282

[ "Pm", "Ir" ]

[ 61, 61, 61, 61, 61, 61, 77, 77 ]

8

2

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194

Pm3Ir

general_inorganic

false

null

external_cif_tar

tar:OQMD_322317

[ "Al", "Ho" ]

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

8

2

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194

Ho3Al

general_inorganic

false

null

external_cif_tar

tar:NOMAD_27IBcPhb0OCwhMbiX0vkFACOT-7z

[ "Ni", "Br" ]

[ 28, 28, 35, 35, 35, 35, 35, 35 ]

8

2

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194

NiBr3

general_inorganic

false

null

[ "halide" ]

external_cif_tar

tar:NOMAD_vkVQS4NrDgaQULglkQ1XXQ-A4unt

[ "Ca", "In" ]

[ 20, 20, 49, 49, 49, 49, 49, 49 ]

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2

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194

CaIn3

general_inorganic

false

null

external_cif_tar

tar:OQMD_322367

[ "V", "Zr" ]

[ 40, 40, 40, 40, 40, 40, 40, 40, 40, 40, 40, 40, 23, 23, 23, 23 ]

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2

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63

Zr3V

general_inorganic

false

null

external_cif_tar

tar:NOMAD_IismkOl3gEl8E3iGlXOw4vq1Vcd7

[ "In", "Sn" ]

[ 49, 49, 49, 49, 49, 49, 50, 50 ]

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2

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194

In3Sn

general_inorganic

false

null

external_cif_tar

tar:OQMD_322390

[ "F", "W" ]

[ 74, 74, 9, 9, 9, 9, 9, 9 ]

8

2

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194

WF3

general_inorganic

false

null

[ "halide" ]

external_cif_tar

tar:OQMD_322407

[ "O", "Hf" ]

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

8

2

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194

Hf3O

general_inorganic

false

null

[ "oxide" ]

external_cif_tar

tar:OQMD_322425

[ "P", "Dy" ]

[ 66, 66, 15, 15, 15, 15, 15, 15 ]

8

2

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194

DyP3

general_inorganic

false

null

external_cif_tar

tar:OQMD_322436

[ "Mn", "Y" ]

[ 39, 39, 25, 25, 25, 25, 25, 25 ]

8

2

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194

YMn3

general_inorganic

false

null

external_cif_tar

tar:OQMD_322470

[ "Ni", "Tl" ]

[ 81, 81, 81, 81, 81, 81, 28, 28 ]

8

2

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194

Tl3Ni

general_inorganic

false

null

external_cif_tar

tar:OQMD_322485

[ "O", "Rb" ]

[ 37, 37, 8, 8, 8, 8, 8, 8 ]

8

2

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194

RbO3

general_inorganic

false

null

[ "oxide" ]

external_cif_tar

tar:NOMAD_esS7X4dvriZPyWOy4A-6lr_2NFQl

[ "Rb", "Tb" ]

[ 37, 37, 65, 65, 65, 65, 65, 65 ]

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2

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194

RbTb3

general_inorganic

false

null

external_cif_tar

tar:NOMAD_J19LUHIMG1zDcvhJOR3PA5-nW5fd

[ "Mn", "Rb" ]

[ 37, 37, 25, 25, 25, 25, 25, 25 ]

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2

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194

RbMn3

general_inorganic

false

null

external_cif_tar

tar:OQMD_322552

[ "Ni", "In" ]

[ 49, 49, 49, 49, 49, 49, 28, 28 ]

8

2

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194

In3Ni

general_inorganic

false

null

external_cif_tar

tar:NOMAD_DPQDTUD-NEUD30DxKPRRey7kB494

[ "K", "Ta" ]

[ 19, 19, 73, 73, 73, 73, 73, 73 ]

8

2

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194

KTa3

general_inorganic

false

null

external_cif_tar

tar:NOMAD_avidLz-TUxphK6MXNhYtmxYvPb9m

[ "Al", "Si" ]

[ 13, 13, 14, 14, 14, 14, 14, 14 ]

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2

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194

AlSi3

general_inorganic

false

null

external_cif_tar

tar:OQMD_322614

[ "Br", "Er" ]

[ 68, 68, 68, 68, 68, 68, 35, 35 ]

8

2

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194

Er3Br

general_inorganic

false

null

[ "halide" ]

external_cif_tar

tar:OQMD_322630

[ "Al", "Y" ]

[ 39, 39, 39, 39, 39, 39, 13, 13 ]

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2

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194

Y3Al

general_inorganic

false

null

external_cif_tar

tar:OQMD_322647

[ "Yb", "Pt" ]

[ 70, 70, 78, 78, 78, 78, 78, 78 ]

8

2

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194

YbPt3

general_inorganic

false

null

external_cif_tar

tar:NOMAD_PBGzUo33itGoyn5nc1sUZzJAfCP_

[ "N", "Mo" ]

[ 42, 42, 7, 7, 7, 7, 7, 7 ]

8

2

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194

MoN3

general_inorganic

false

null

external_cif_tar

tar:OQMD_322681

[ "F", "Na" ]

[ 11, 11, 11, 11, 11, 11, 9, 9 ]

8

2

[ [ 0.19786423444747925, 0.3957284688949585, 0.25 ], [ 0.8021357655525208, 0.6042715311050415, 0.75 ], [ 0.8021357655525208, 0.19786423444747925, 0.75 ], [ 0.19786423444747925, 0.8021357655525208, 0.25 ], [ 0.6042715311050415, 0.8021357655525208,...

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194

Na3F

general_inorganic

false

null

[ "halide" ]

external_cif_tar

tar:OQMD_322696

[ "Br", "Rb" ]

[ 37, 37, 35, 35, 35, 35, 35, 35 ]

8

2

[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.16969910264015198, 0.33939820528030396, 0.25 ], [ 0.8303009271621704, 0.660601794719696, 0.75 ], [ 0.8303009271621704, 0.16969910264015198, ...

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194

RbBr3

general_inorganic

false

null

[ "halide" ]

external_cif_tar

tar:OQMD_322730

[ "Rh", "La" ]

[ 57, 57, 45, 45, 45, 45, 45, 45 ]

8

2

[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.15438011288642883, 0.30876022577285767, 0.25 ], [ 0.8456198573112488, 0.6912397742271423, 0.75 ], [ 0.8456198573112488, 0.15438011288642883,...

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194

LaRh3

general_inorganic

false

null

external_cif_tar

tar:OQMD_322747

[ "Mn", "Zr" ]

[ 40, 40, 40, 40, 40, 40, 40, 40, 40, 40, 40, 40, 25, 25, 25, 25 ]

16

2

[ [ 0.7079510688781738, 0.8779513239860535, 0.25 ], [ 0.29204893112182617, 0.12204869091510773, 0.75 ], [ 0.7079510688781738, 0.12204869091510773, 0.75 ], [ 0.29204893112182617, 0.8779513239860535, 0.25 ], [ 0.5, 0.6085712909698486, 0.25 ],...

{ "a": 7.531743049621582, "b": 9.895480155944824, "c": 4.2439069747924805, "alpha": 90, "beta": 90, "gamma": 90 }

63

Zr3Mn

general_inorganic

false

null

external_cif_tar

tar:OQMD_322758

[ "N", "Gd" ]

[ 64, 64, 64, 64, 64, 64, 7, 7 ]

8

2

[ [ 0.2156802862882614, 0.7843196988105774, 0.25 ], [ 0.7843196988105774, 0.2156802862882614, 0.75 ], [ 0.4313605725765228, 0.2156802862882614, 0.75 ], [ 0.5686394572257996, 0.7843196988105774, 0.25 ], [ 0.2156802862882614, 0.4313605725765228, ...

{ "a": 8.976166725158691, "b": 8.976166725158691, "c": 3.1847329139709473, "alpha": 90, "beta": 90, "gamma": 120 }

194

Gd3N

general_inorganic

false

null

external_cif_tar

tar:OQMD_322774

[ "S", "Ge" ]

[ 32, 32, 16, 16, 16, 16, 16, 16 ]

8

2

[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.2027483731508255, 0.405496746301651, 0.25 ], [ 0.7972516417503357, 0.5945032835006714, 0.75 ], [ 0.7972516417503357, 0.2027483731508255, ...

{ "a": 6.026727199554443, "b": 6.026727199554443, "c": 4.999537944793701, "alpha": 90, "beta": 90, "gamma": 120 }

194

GeS3

general_inorganic

false

null

[ "sulfide" ]

external_cif_tar

tar:NOMAD_Jcgat0xmdCkbK_bQ6a-c6X4VBVzY

[ "Zr", "Np" ]

[ 40, 40, 93, 93, 93, 93, 93, 93 ]

8

2

[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.1677175611257553, 0.3354351222515106, 0.25 ], [ 0.8322824239730835, 0.6645649075508118, 0.75 ], [ 0.8322824239730835, 0.1677175611257553, ...

{ "a": 6.224063396453857, "b": 6.224063396453857, "c": 5.358204364776611, "alpha": 90, "beta": 90, "gamma": 120 }

194

ZrNp3

general_inorganic

false

null

external_cif_tar

tar:OQMD_322816

[ "Nd", "U" ]

[ 60, 60, 92, 92, 92, 92, 92, 92 ]

8

2

[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.14274612069129944, 0.2854922413825989, 0.25 ], [ 0.857253909111023, 0.7145077586174011, 0.75 ], [ 0.857253909111023, 0.14274612069129944, ...

{ "a": 6.504449844360352, "b": 6.504449844360352, "c": 5.40696907043457, "alpha": 90, "beta": 90, "gamma": 120 }

194

NdU3

general_inorganic

false

null

external_cif_tar

tar:OQMD_322832

[ "Pm", "Th" ]

[ 61, 61, 61, 61, 61, 61, 90, 90 ]

8

2

[ [ 0.16809767484664917, 0.33619534969329834, 0.25 ], [ 0.8319023251533508, 0.6638046503067017, 0.75 ], [ 0.8319023251533508, 0.16809767484664917, 0.75 ], [ 0.16809767484664917, 0.8319023251533508, 0.25 ], [ 0.6638046503067017, 0.8319023251533508...

{ "a": 7.2825398445129395, "b": 7.2825398445129395, "c": 5.941489219665527, "alpha": 90, "beta": 90, "gamma": 120 }

194

Pm3Th

general_inorganic

false

null

external_cif_tar

tar:OQMD_322848

[ "O", "F" ]

[ 8, 8, 9, 9, 9, 9, 9, 9 ]

8

2

[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.1883273422718048, 0.3766546845436096, 0.25 ], [ 0.8116726279258728, 0.6233453154563904, 0.75 ], [ 0.8116726279258728, 0.1883273422718048, ...

{ "a": 5.288527965545654, "b": 5.288527965545654, "c": 2.763895034790039, "alpha": 90, "beta": 90, "gamma": 120 }

194

OF3

general_inorganic

false

null

[ "oxide", "halide" ]

external_cif_tar

tar:OQMD_322863

[ "Ni", "W" ]

[ 28, 28, 74, 74, 74, 74, 74, 74 ]

8

2

[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.16524824500083923, 0.33049649000167847, 0.25 ], [ 0.8347517251968384, 0.6695035099983215, 0.75 ], [ 0.8347517251968384, 0.16524824500083923,...

{ "a": 5.55135440826416, "b": 5.55135440826416, "c": 4.4726738929748535, "alpha": 90, "beta": 90, "gamma": 120 }

194

NiW3

general_inorganic

false

null

external_cif_tar

tar:OQMD_322886

[ "Sr", "Mo" ]

[ 38, 38, 38, 38, 38, 38, 42, 42 ]

8

2

[ [ 0.17668567597866058, 0.35337135195732117, 0.25 ], [ 0.8233143091201782, 0.6466286778450012, 0.75 ], [ 0.8233143091201782, 0.17668567597866058, 0.75 ], [ 0.17668567597866058, 0.8233143091201782, 0.25 ], [ 0.6466286778450012, 0.8233143091201782...

{ "a": 7.672048091888428, "b": 7.672048091888428, "c": 5.9249677658081055, "alpha": 90, "beta": 90, "gamma": 120 }

194

Sr3Mo

general_inorganic

false

null

external_cif_tar

tar:NOMAD_CYjBYrOwTQGHe3IlPX5GoD2whEaM

[ "Be", "Np" ]

[ 93, 93, 93, 93, 93, 93, 4, 4 ]

8

2

[ [ 0.17960789799690247, 0.35921579599380493, 0.25 ], [ 0.8203920722007751, 0.6407842040061951, 0.75 ], [ 0.8203920722007751, 0.17960789799690247, 0.75 ], [ 0.17960789799690247, 0.8203920722007751, 0.25 ], [ 0.6407842040061951, 0.8203920722007751...

{ "a": 5.815766334533691, "b": 5.815766334533691, "c": 4.360220432281494, "alpha": 90, "beta": 90, "gamma": 120 }

194

Np3Be

general_inorganic

false

null

external_cif_tar

tar:OQMD_322917

[ "V", "Tc" ]

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

8

2

[ [ 0.16701991856098175, 0.3340398371219635, 0.25 ], [ 0.8329800963401794, 0.6659601330757141, 0.75 ], [ 0.8329800963401794, 0.16701991856098175, 0.75 ], [ 0.16701991856098175, 0.8329800963401794, 0.25 ], [ 0.6659601330757141, 0.8329800963401794,...

{ "a": 5.2104387283325195, "b": 5.2104387283325195, "c": 4.694593906402588, "alpha": 90, "beta": 90, "gamma": 120 }

194

V3Tc

general_inorganic

false

null

external_cif_tar

tar:OQMD_322934

[ "F", "Se" ]

[ 34, 34, 9, 9, 9, 9, 9, 9 ]

8

2

[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.193320631980896, 0.386641263961792, 0.25 ], [ 0.806679368019104, 0.613358736038208, 0.75 ], [ 0.806679368019104, 0.193320631980896, 0.75...

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194

SeF3

general_inorganic

false

null

[ "halide" ]

external_cif_tar

tar:NOMAD_93gLIBS2nJp7lQpgZjaa2laApuM6

[ "Si", "Th" ]

[ 90, 90, 14, 14, 14, 14, 14, 14 ]

8

2

[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.13800399005413055, 0.2760079801082611, 0.25 ], [ 0.8619959950447083, 0.7239920496940613, 0.75 ], [ 0.8619959950447083, 0.13800399005413055, ...

{ "a": 6.149330139160156, "b": 6.149330139160156, "c": 4.547920227050781, "alpha": 90, "beta": 90, "gamma": 120 }

194

ThSi3

general_inorganic

false

null

external_cif_tar

tar:OQMD_322971

[ "S", "Pd" ]

[ 46, 46, 46, 46, 46, 46, 16, 16 ]

8

2

[ [ 0.17755819857120514, 0.3551163971424103, 0.25 ], [ 0.822441816329956, 0.6448835730552673, 0.75 ], [ 0.822441816329956, 0.17755819857120514, 0.75 ], [ 0.17755819857120514, 0.822441816329956, 0.25 ], [ 0.6448835730552673, 0.822441816329956, ...

{ "a": 6.041012287139893, "b": 6.041012287139893, "c": 3.888892889022827, "alpha": 90, "beta": 90, "gamma": 120 }

194

Pd3S

general_inorganic

false

null

[ "sulfide" ]

external_cif_tar