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_Ro1GlL3FdMgbK1Ep0Nmym33ebCr4	[ "Ge", "Mo" ]	[ 32, 32, 42, 42, 42, 42, 42, 42 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.1643824726343155, 0.328764945268631, 0.25 ], [ 0.8356175422668457, 0.6712350249290466, 0.75 ], [ 0.8356175422668457, 0.1643824726343155, ...	{ "a": 5.517621040344238, "b": 5.517621040344238, "c": 4.697787284851074, "alpha": 90, "beta": 90, "gamma": 120 }	194	GeMo3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_323039	[ "Cl", "Yb" ]	[ 70, 70, 70, 70, 70, 70, 17, 17 ]	8	2	[ [ 0.16624218225479126, 0.3324843645095825, 0.25 ], [ 0.8337578177452087, 0.6675156354904175, 0.75 ], [ 0.8337578177452087, 0.16624218225479126, 0.75 ], [ 0.16624218225479126, 0.8337578177452087, 0.25 ], [ 0.6675156354904175, 0.8337578177452087,...	{ "a": 7.327498435974121, "b": 7.327498435974121, "c": 6.220091819763184, "alpha": 90, "beta": 90, "gamma": 120 }	194	Yb3Cl	general_inorganic	false	null	null	null	null	null	[ "halide" ]	external_cif_tar
tar:OQMD_323053	[ "Al", "Ba" ]	[ 56, 56, 13, 13, 13, 13, 13, 13 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.12502357363700867, 0.25004714727401733, 0.25 ], [ 0.874976396560669, 0.7499528527259827, 0.75 ], [ 0.874976396560669, 0.12502357363700867, ...	{ "a": 7.403029441833496, "b": 7.403029441833496, "c": 4.609723091125488, "alpha": 90, "beta": 90, "gamma": 120 }	194	BaAl3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_323066	[ "Ni", "Pt" ]	[ 28, 28, 78, 78, 78, 78, 78, 78 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.16822373867034912, 0.33644747734069824, 0.25 ], [ 0.8317762613296509, 0.6635525226593018, 0.75 ], [ 0.8317762613296509, 0.16822373867034912,...	{ "a": 5.457344055175781, "b": 5.457344055175781, "c": 4.554821968078613, "alpha": 90, "beta": 90, "gamma": 120 }	194	NiPt3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_P-y2fPnsNWSS4VTTDAiOIbxga3TA	[ "Zn", "Rb" ]	[ 37, 37, 37, 37, 37, 37, 30, 30 ]	8	2	[ [ 0.1779109388589859, 0.3558218777179718, 0.25 ], [ 0.8220890760421753, 0.6441781520843506, 0.75 ], [ 0.8220890760421753, 0.1779109388589859, 0.75 ], [ 0.1779109388589859, 0.8220890760421753, 0.25 ], [ 0.6441781520843506, 0.8220890760421753, ...	{ "a": 8.833024024963379, "b": 8.833024024963379, "c": 6.740938663482666, "alpha": 90, "beta": 90, "gamma": 120 }	194	Rb3Zn	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_323097	[ "Te", "Ho" ]	[ 67, 67, 67, 67, 67, 67, 52, 52 ]	8	2	[ [ 0.16733847558498383, 0.33467695116996765, 0.25 ], [ 0.832661509513855, 0.66532301902771, 0.75 ], [ 0.832661509513855, 0.16733847558498383, 0.75 ], [ 0.16733847558498383, 0.832661509513855, 0.25 ], [ 0.66532301902771, 0.832661509513855, 0....	{ "a": 6.802171230316162, "b": 6.802171230316162, "c": 5.501434803009033, "alpha": 90, "beta": 90, "gamma": 120 }	194	Ho3Te	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_323111	[ "Nb", "Cd" ]	[ 41, 41, 41, 41, 41, 41, 48, 48 ]	8	2	[ [ 0.161290243268013, 0.322580486536026, 0.25 ], [ 0.8387097716331482, 0.6774194836616516, 0.75 ], [ 0.8387097716331482, 0.161290243268013, 0.75 ], [ 0.161290243268013, 0.8387097716331482, 0.25 ], [ 0.6774194836616516, 0.8387097716331482, 0....	{ "a": 5.967139720916748, "b": 5.967139720916748, "c": 4.8263421058654785, "alpha": 90, "beta": 90, "gamma": 120 }	194	Nb3Cd	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_323130	[ "Cu", "Yb" ]	[ 70, 70, 70, 70, 70, 70, 29, 29 ]	8	2	[ [ 0.17335310578346252, 0.34670621156692505, 0.25 ], [ 0.8266468644142151, 0.653293788433075, 0.75 ], [ 0.8266468644142151, 0.17335310578346252, 0.75 ], [ 0.17335310578346252, 0.8266468644142151, 0.25 ], [ 0.653293788433075, 0.8266468644142151, ...	{ "a": 6.8293633460998535, "b": 6.8293633460998535, "c": 5.494734764099121, "alpha": 90, "beta": 90, "gamma": 120 }	194	Yb3Cu	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_MS49bK0k40InrWjX3LkcGPBL3l9e	[ "La", "Np" ]	[ 57, 57, 93, 93, 93, 93, 93, 93 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.14215098321437836, 0.2843019664287567, 0.25 ], [ 0.8578490018844604, 0.7156980037689209, 0.75 ], [ 0.8578490018844604, 0.14215098321437836, ...	{ "a": 6.494341850280762, "b": 6.494341850280762, "c": 5.2943925857543945, "alpha": 90, "beta": 90, "gamma": 120 }	194	LaNp3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_323190	[ "Nb", "Ho" ]	[ 67, 67, 41, 41, 41, 41, 41, 41 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.14845702052116394, 0.2969140410423279, 0.25 ], [ 0.8515430092811584, 0.7030859589576721, 0.75 ], [ 0.8515430092811584, 0.14845702052116394, ...	{ "a": 6.262500286102295, "b": 6.262500286102295, "c": 5.0493268966674805, "alpha": 90, "beta": 90, "gamma": 120 }	194	HoNb3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_HDFluEYFWZsPe8uY4fLr6j6foEXy	[ "Al", "Ta" ]	[ 73, 73, 13, 13, 13, 13, 13, 13 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.75 ], [ 0.166262686252594, 0.833737313747406, 0.75 ], [ 0.833737313747406, 0.166262686252594, 0.25 ], [ 0.332525372505188, 0.166262686252594, 0.25...	{ "a": 5.60558557510376, "b": 5.60558557510376, "c": 4.740286827087402, "alpha": 90, "beta": 90, "gamma": 120 }	194	TaAl3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD__MY98fbGbtT7Ozk81TrJlP56ObiE	[ "Br", "Np" ]	[ 93, 93, 93, 93, 93, 93, 35, 35 ]	8	2	[ [ 0.15707363188266754, 0.3141472637653351, 0.25 ], [ 0.8429263830184937, 0.6858527660369873, 0.75 ], [ 0.8429263830184937, 0.15707363188266754, 0.75 ], [ 0.15707363188266754, 0.8429263830184937, 0.25 ], [ 0.6858527660369873, 0.8429263830184937,...	{ "a": 5.991541862487793, "b": 5.991541862487793, "c": 5.208835601806641, "alpha": 90, "beta": 90, "gamma": 120 }	194	Np3Br	general_inorganic	false	null	null	null	null	null	[ "halide" ]	external_cif_tar
tar:OQMD_323232	[ "F", "Al" ]	[ 13, 13, 13, 13, 13, 13, 9, 9 ]	8	2	[ [ 0.16756506264209747, 0.33513012528419495, 0.25 ], [ 0.8324349522590637, 0.6648698449134827, 0.75 ], [ 0.8324349522590637, 0.16756506264209747, 0.75 ], [ 0.16756506264209747, 0.8324349522590637, 0.25 ], [ 0.6648698449134827, 0.8324349522590637...	{ "a": 5.573156356811523, "b": 5.573156356811523, "c": 4.750608921051025, "alpha": 90, "beta": 90, "gamma": 120 }	194	Al3F	general_inorganic	false	null	null	null	null	null	[ "halide" ]	external_cif_tar
tar:NOMAD_OWdNKLOM1z_JvKgpU2rtMEfDDTv3	[ "Co", "Eu" ]	[ 63, 63, 27, 27, 27, 27, 27, 27 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.12692198157310486, 0.2538439631462097, 0.25 ], [ 0.8730779886245728, 0.7461560368537903, 0.75 ], [ 0.8730779886245728, 0.12692198157310486, ...	{ "a": 6.247665882110596, "b": 6.247665882110596, "c": 3.9698421955108643, "alpha": 90, "beta": 90, "gamma": 120 }	194	EuCo3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_Jh2ZFozSMYhhMqlhwKNM3x2zief6	[ "Cl", "Gd" ]	[ 64, 64, 64, 64, 64, 64, 17, 17 ]	8	2	[ [ 0.16491995751857758, 0.32983991503715515, 0.25 ], [ 0.8350800275802612, 0.6701600551605225, 0.75 ], [ 0.8350800275802612, 0.16491995751857758, 0.75 ], [ 0.16491995751857758, 0.8350800275802612, 0.25 ], [ 0.6701600551605225, 0.8350800275802612...	{ "a": 6.835235595703125, "b": 6.835235595703125, "c": 5.7850661277771, "alpha": 90, "beta": 90, "gamma": 120 }	194	Gd3Cl	general_inorganic	false	null	null	null	null	null	[ "halide" ]	external_cif_tar
tar:NOMAD_d_UPp_8uLqw_TXDL9Jz-bTWD8MdS	[ "Cl", "I" ]	[ 53, 53, 53, 53, 53, 53, 17, 17 ]	8	2	[ [ 0.16501396894454956, 0.3300279378890991, 0.25 ], [ 0.8349860310554504, 0.6699720621109009, 0.75 ], [ 0.8349860310554504, 0.16501396894454956, 0.75 ], [ 0.16501396894454956, 0.8349860310554504, 0.25 ], [ 0.6699720621109009, 0.8349860310554504,...	{ "a": 8.02185344696045, "b": 8.02185344696045, "c": 4.742084980010986, "alpha": 90, "beta": 90, "gamma": 120 }	194	I3Cl	general_inorganic	false	null	null	null	null	null	[ "halide" ]	external_cif_tar
tar:OQMD_323292	[ "Tl", "Np" ]	[ 93, 93, 93, 93, 93, 93, 81, 81 ]	8	2	[ [ 0.16800639033317566, 0.3360127806663513, 0.25 ], [ 0.8319936394691467, 0.6639872193336487, 0.75 ], [ 0.8319936394691467, 0.16800639033317566, 0.75 ], [ 0.16800639033317566, 0.8319936394691467, 0.25 ], [ 0.6639872193336487, 0.8319936394691467,...	{ "a": 6.564396381378174, "b": 6.564396381378174, "c": 5.282626152038574, "alpha": 90, "beta": 90, "gamma": 120 }	194	Np3Tl	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_hDqYPD0tHDkG2dFC0NYdfMlRKLr-	[ "Rh", "Cs" ]	[ 55, 55, 45, 45, 45, 45, 45, 45 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.12103766947984695, 0.2420753389596939, 0.25 ], [ 0.8789623379707336, 0.7579246759414673, 0.75 ], [ 0.8789623379707336, 0.12103766947984695, ...	{ "a": 6.9619059562683105, "b": 6.9619059562683105, "c": 4.482904434204102, "alpha": 90, "beta": 90, "gamma": 120 }	194	CsRh3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD__9UqC9rdgCt7yy6iYqrkUjDv9APX	[ "C", "Cr" ]	[ 24, 24, 6, 6, 6, 6, 6, 6 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.75 ], [ 0.2153792381286621, 0.4307584762573242, 0.75 ], [ 0.7846207618713379, 0.5692415237426758, 0.25 ], [ 0.7846207618713379, 0.2153792381286621, ...	{ "a": 4.172823905944824, "b": 4.172823905944824, "c": 4.382291316986084, "alpha": 90, "beta": 90, "gamma": 120 }	194	CrC3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_323366	[ "Li", "Np" ]	[ 3, 3, 93, 93, 93, 93, 93, 93 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.17934337258338928, 0.35868674516677856, 0.25 ], [ 0.8206566572189331, 0.6413132548332214, 0.75 ], [ 0.8206566572189331, 0.17934337258338928,...	{ "a": 5.757767677307129, "b": 5.757767677307129, "c": 4.479156017303467, "alpha": 90, "beta": 90, "gamma": 120 }	194	LiNp3	general_inorganic	true	2	null	null	null	null	[ "li" ]	external_cif_tar
tar:NOMAD_wngCCjbssrwi4kURE-4555-1z89z	[ "O", "Tl" ]	[ 81, 81, 81, 81, 81, 81, 8, 8 ]	8	2	[ [ 0.1995452344417572, 0.3990904688835144, 0.25 ], [ 0.8004547357559204, 0.6009095311164856, 0.75 ], [ 0.8004547357559204, 0.1995452344417572, 0.75 ], [ 0.1995452344417572, 0.8004547357559204, 0.25 ], [ 0.6009095311164856, 0.8004547357559204, ...	{ "a": 8.308691024780273, "b": 8.308691024780273, "c": 3.4338555335998535, "alpha": 90, "beta": 90, "gamma": 120 }	194	Tl3O	general_inorganic	false	null	null	null	null	null	[ "oxide" ]	external_cif_tar
tar:NOMAD_t7ggdU4bcnVKhFciO4ANrMo4dwAj	[ "Ir", "Ac" ]	[ 89, 89, 77, 77, 77, 77, 77, 77 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.14515386521816254, 0.2903077304363251, 0.25 ], [ 0.8548461198806763, 0.7096922993659973, 0.75 ], [ 0.8548461198806763, 0.14515386521816254, ...	{ "a": 6.155188083648682, "b": 6.155188083648682, "c": 4.703807353973389, "alpha": 90, "beta": 90, "gamma": 120 }	194	AcIr3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_323447	[ "Sn", "U" ]	[ 92, 92, 92, 92, 92, 92, 50, 50 ]	8	2	[ [ 0.15720392763614655, 0.3144078552722931, 0.25 ], [ 0.8427960872650146, 0.6855921149253845, 0.75 ], [ 0.8427960872650146, 0.15720392763614655, 0.75 ], [ 0.15720392763614655, 0.8427960872650146, 0.25 ], [ 0.6855921149253845, 0.8427960872650146,...	{ "a": 6.314340591430664, "b": 6.314340591430664, "c": 5.102078914642334, "alpha": 90, "beta": 90, "gamma": 120 }	194	U3Sn	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_323464	[ "P", "Ag" ]	[ 47, 47, 47, 47, 47, 47, 15, 15 ]	8	2	[ [ 0.1682899445295334, 0.3365798890590668, 0.25 ], [ 0.8317100405693054, 0.6634201407432556, 0.75 ], [ 0.8317100405693054, 0.1682899445295334, 0.75 ], [ 0.1682899445295334, 0.8317100405693054, 0.25 ], [ 0.6634201407432556, 0.8317100405693054, ...	{ "a": 5.815154552459717, "b": 5.815154552459717, "c": 4.665131092071533, "alpha": 90, "beta": 90, "gamma": 120 }	194	Ag3P	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_323480	[ "Ca", "Ir" ]	[ 20, 20, 77, 77, 77, 77, 77, 77 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.16003306210041046, 0.3200661242008209, 0.25 ], [ 0.8399669528007507, 0.6799339056015015, 0.75 ], [ 0.8399669528007507, 0.16003306210041046, ...	{ "a": 5.71610689163208, "b": 5.71610689163208, "c": 4.611847877502441, "alpha": 90, "beta": 90, "gamma": 120 }	194	CaIr3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_323496	[ "Tc", "Nd" ]	[ 60, 60, 60, 60, 60, 60, 43, 43 ]	8	2	[ [ 0.18113315105438232, 0.36226630210876465, 0.25 ], [ 0.8188668489456177, 0.6377336978912354, 0.75 ], [ 0.8188668489456177, 0.18113315105438232, 0.75 ], [ 0.18113315105438232, 0.8188668489456177, 0.25 ], [ 0.6377336978912354, 0.8188668489456177...	{ "a": 7.1431379318237305, "b": 7.1431379318237305, "c": 4.949420928955078, "alpha": 90, "beta": 90, "gamma": 120 }	194	Nd3Tc	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_323523	[ "Ag", "Lu" ]	[ 71, 71, 71, 71, 71, 71, 47, 47 ]	8	2	[ [ 0.17144852876663208, 0.34289705753326416, 0.25 ], [ 0.8285514712333679, 0.6571029424667358, 0.75 ], [ 0.8285514712333679, 0.17144852876663208, 0.75 ], [ 0.17144852876663208, 0.8285514712333679, 0.25 ], [ 0.6571029424667358, 0.8285514712333679...	{ "a": 6.640507698059082, "b": 6.640507698059082, "c": 5.223710060119629, "alpha": 90, "beta": 90, "gamma": 120 }	194	Lu3Ag	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_323541	[ "H", "Sn" ]	[ 50, 50, 1, 1, 1, 1, 1, 1 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.20170335471630096, 0.40340670943260193, 0.25 ], [ 0.7982966303825378, 0.5965933203697205, 0.75 ], [ 0.7982966303825378, 0.20170335471630096,...	{ "a": 5.933582782745361, "b": 5.933582782745361, "c": 3.022296905517578, "alpha": 90, "beta": 90, "gamma": 120 }	194	SnH3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_323558	[ "Eu", "Tb" ]	[ 65, 65, 65, 65, 65, 65, 63, 63 ]	8	2	[ [ 0.16363874077796936, 0.3272774815559387, 0.25 ], [ 0.836361289024353, 0.6727225184440613, 0.75 ], [ 0.836361289024353, 0.16363874077796936, 0.75 ], [ 0.16363874077796936, 0.836361289024353, 0.25 ], [ 0.6727225184440613, 0.836361289024353, ...	{ "a": 7.313155174255371, "b": 7.313155174255371, "c": 5.794074058532715, "alpha": 90, "beta": 90, "gamma": 120 }	194	Tb3Eu	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_323571	[ "Tm", "Ac" ]	[ 89, 89, 69, 69, 69, 69, 69, 69 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.16106443107128143, 0.32212886214256287, 0.25 ], [ 0.8389355540275574, 0.6778711676597595, 0.75 ], [ 0.8389355540275574, 0.16106443107128143,...	{ "a": 7.324510097503662, "b": 7.324510097503662, "c": 5.782393932342529, "alpha": 90, "beta": 90, "gamma": 120 }	194	AcTm3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_323586	[ "H", "Sm" ]	[ 62, 62, 62, 62, 62, 62, 1, 1 ]	8	2	[ [ 0.2023736834526062, 0.4047473669052124, 0.25 ], [ 0.7976263165473938, 0.5952526330947876, 0.75 ], [ 0.7976263165473938, 0.2023736834526062, 0.75 ], [ 0.2023736834526062, 0.7976263165473938, 0.25 ], [ 0.5952526330947876, 0.7976263165473938, ...	{ "a": 8.522555351257324, "b": 8.522555351257324, "c": 3.48260498046875, "alpha": 90, "beta": 90, "gamma": 120 }	194	Sm3H	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_9qlAO4JL4ZChG_Isvfg-MkIwwD3q	[ "Be", "Pu" ]	[ 94, 94, 94, 94, 94, 94, 4, 4 ]	8	2	[ [ 0.1772623211145401, 0.3545246422290802, 0.25 ], [ 0.8227376937866211, 0.6454753279685974, 0.75 ], [ 0.8227376937866211, 0.1772623211145401, 0.75 ], [ 0.1772623211145401, 0.8227376937866211, 0.25 ], [ 0.6454753279685974, 0.8227376937866211, ...	{ "a": 6.268293380737305, "b": 6.268293380737305, "c": 4.68727970123291, "alpha": 90, "beta": 90, "gamma": 120 }	194	Pu3Be	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_323614	[ "C", "Ru" ]	[ 44, 44, 6, 6, 6, 6, 6, 6 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.21768321096897125, 0.4353664219379425, 0.25 ], [ 0.7823168039321899, 0.5646335482597351, 0.75 ], [ 0.7823168039321899, 0.21768321096897125, ...	{ "a": 4.2213616371154785, "b": 4.2213616371154785, "c": 5.211907863616943, "alpha": 90, "beta": 90, "gamma": 120 }	194	RuC3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_323628	[ "Cr", "Ni" ]	[ 24, 24, 28, 28, 28, 28, 28, 28 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.165882870554924, 0.331765741109848, 0.25 ], [ 0.8341171145439148, 0.6682342886924744, 0.75 ], [ 0.8341171145439148, 0.165882870554924, 0...	{ "a": 4.9979681968688965, "b": 4.9979681968688965, "c": 4.050487041473389, "alpha": 90, "beta": 90, "gamma": 120 }	194	CrNi3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_323642	[ "Sc", "Pb" ]	[ 21, 21, 21, 21, 21, 21, 82, 82 ]	8	2	[ [ 0.1671830266714096, 0.3343660533428192, 0.25 ], [ 0.8328169584274292, 0.6656339764595032, 0.75 ], [ 0.8328169584274292, 0.1671830266714096, 0.75 ], [ 0.1671830266714096, 0.8328169584274292, 0.25 ], [ 0.6656339764595032, 0.8328169584274292, ...	{ "a": 6.268388271331787, "b": 6.268388271331787, "c": 5.074944019317627, "alpha": 90, "beta": 90, "gamma": 120 }	194	Sc3Pb	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_323657	[ "Ag", "Th" ]	[ 90, 90, 90, 90, 90, 90, 47, 47 ]	8	2	[ [ 0.17265935242176056, 0.3453187048435211, 0.25 ], [ 0.8273406624794006, 0.6546813249588013, 0.75 ], [ 0.8273406624794006, 0.17265935242176056, 0.75 ], [ 0.17265935242176056, 0.8273406624794006, 0.25 ], [ 0.6546813249588013, 0.8273406624794006,...	{ "a": 6.936461925506592, "b": 6.936461925506592, "c": 5.4504570960998535, "alpha": 90, "beta": 90, "gamma": 120 }	194	Th3Ag	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_323673	[ "Li", "Nb" ]	[ 3, 3, 41, 41, 41, 41, 41, 41 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.16745980083942413, 0.33491960167884827, 0.25 ], [ 0.8325402140617371, 0.6650804281234741, 0.75 ], [ 0.8325402140617371, 0.16745980083942413,...	{ "a": 5.773894786834717, "b": 5.773894786834717, "c": 4.7479400634765625, "alpha": 90, "beta": 90, "gamma": 120 }	194	LiNb3	general_inorganic	true	2	null	null	null	null	[ "li" ]	external_cif_tar
tar:NOMAD_NVSW7du3MU2fb6tCHB_iIGQYO3yj	[ "Sc", "Ti" ]	[ 21, 21, 21, 21, 21, 21, 22, 22 ]	8	2	[ [ 0.1704525202512741, 0.3409050405025482, 0.25 ], [ 0.8295474648475647, 0.6590949296951294, 0.75 ], [ 0.8295474648475647, 0.1704525202512741, 0.75 ], [ 0.1704525202512741, 0.8295474648475647, 0.25 ], [ 0.6590949296951294, 0.8295474648475647, ...	{ "a": 6.366273403167725, "b": 6.366273403167725, "c": 4.974033355712891, "alpha": 90, "beta": 90, "gamma": 120 }	194	Sc3Ti	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_323738	[ "Nd", "Pb" ]	[ 60, 60, 82, 82, 82, 82, 82, 82 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.16440579295158386, 0.3288115859031677, 0.25 ], [ 0.8355942368507385, 0.6711884140968323, 0.75 ], [ 0.8355942368507385, 0.16440579295158386, ...	{ "a": 6.76218318939209, "b": 6.76218318939209, "c": 5.729616165161133, "alpha": 90, "beta": 90, "gamma": 120 }	194	NdPb3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_323753	[ "Ba", "Tl" ]	[ 56, 56, 56, 56, 56, 56, 81, 81 ]	8	2	[ [ 0.17711496353149414, 0.3542299270629883, 0.25 ], [ 0.8228850364685059, 0.6457700729370117, 0.75 ], [ 0.8228850364685059, 0.17711496353149414, 0.75 ], [ 0.17711496353149414, 0.8228850364685059, 0.25 ], [ 0.6457700729370117, 0.8228850364685059,...	{ "a": 8.103824615478516, "b": 8.103824615478516, "c": 6.221202850341797, "alpha": 90, "beta": 90, "gamma": 120 }	194	Ba3Tl	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_323783	[ "Fe", "Au" ]	[ 26, 26, 79, 79, 79, 79, 79, 79 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.16973033547401428, 0.33946067094802856, 0.25 ], [ 0.8302696943283081, 0.6605393290519714, 0.75 ], [ 0.8302696943283081, 0.16973033547401428,...	{ "a": 5.76513671875, "b": 5.76513671875, "c": 4.682685852050781, "alpha": 90, "beta": 90, "gamma": 120 }	194	FeAu3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_323798	[ "V", "Tm" ]	[ 69, 69, 69, 69, 69, 69, 23, 23 ]	8	2	[ [ 0.17342236638069153, 0.34684473276138306, 0.25 ], [ 0.8265776634216309, 0.6531552672386169, 0.75 ], [ 0.8265776634216309, 0.17342236638069153, 0.75 ], [ 0.17342236638069153, 0.8265776634216309, 0.25 ], [ 0.6531552672386169, 0.8265776634216309...	{ "a": 6.669193744659424, "b": 6.669193744659424, "c": 5.14368200302124, "alpha": 90, "beta": 90, "gamma": 120 }	194	Tm3V	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_323812	[ "O", "Pu" ]	[ 94, 94, 94, 94, 94, 94, 8, 8 ]	8	2	[ [ 0.1977003961801529, 0.3954007923603058, 0.25 ], [ 0.8022996187210083, 0.6045991778373718, 0.75 ], [ 0.8022996187210083, 0.1977003961801529, 0.75 ], [ 0.1977003961801529, 0.8022996187210083, 0.25 ], [ 0.6045991778373718, 0.8022996187210083, ...	{ "a": 7.9323225021362305, "b": 7.9323225021362305, "c": 3.532543897628784, "alpha": 90, "beta": 90, "gamma": 120 }	194	Pu3O	general_inorganic	false	null	null	null	null	null	[ "oxide" ]	external_cif_tar
tar:NOMAD_tp4YTPWd5Aq-zRIJSAHfxq7eX-wn	[ "V", "La" ]	[ 57, 57, 23, 23, 23, 23, 23, 23 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.75 ], [ 0.12891030311584473, 0.25782060623168945, 0.75 ], [ 0.8710896968841553, 0.7421793937683105, 0.25 ], [ 0.8710896968841553, 0.12891030311584473,...	{ "a": 6.289987564086914, "b": 6.289987564086914, "c": 4.674990177154541, "alpha": 90, "beta": 90, "gamma": 120 }	194	LaV3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_323844	[ "F", "Ga" ]	[ 31, 31, 31, 31, 31, 31, 9, 9 ]	8	2	[ [ 0.16997689008712769, 0.33995378017425537, 0.25 ], [ 0.8300231099128723, 0.6600462198257446, 0.75 ], [ 0.8300231099128723, 0.16997689008712769, 0.75 ], [ 0.16997689008712769, 0.8300231099128723, 0.25 ], [ 0.6600462198257446, 0.8300231099128723...	{ "a": 5.589699745178223, "b": 5.589699745178223, "c": 4.77951717376709, "alpha": 90, "beta": 90, "gamma": 120 }	194	Ga3F	general_inorganic	false	null	null	null	null	null	[ "halide" ]	external_cif_tar
tar:OQMD_323859	[ "B", "Rh" ]	[ 5, 5, 5, 5, 5, 5, 45, 45 ]	8	2	[ [ 0.12675462663173676, 0.2535092532634735, 0.25 ], [ 0.873245358467102, 0.7464907765388489, 0.75 ], [ 0.873245358467102, 0.12675462663173676, 0.75 ], [ 0.12675462663173676, 0.873245358467102, 0.25 ], [ 0.7464907765388489, 0.873245358467102, ...	{ "a": 4.722115516662598, "b": 4.722115516662598, "c": 3.362457036972046, "alpha": 90, "beta": 90, "gamma": 120 }	194	B3Rh	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_323907	[ "Li", "Tl" ]	[ 3, 3, 3, 3, 3, 3, 81, 81 ]	8	2	[ [ 0.16804541647434235, 0.3360908329486847, 0.25 ], [ 0.8319545984268188, 0.6639091968536377, 0.75 ], [ 0.8319545984268188, 0.16804541647434235, 0.75 ], [ 0.16804541647434235, 0.8319545984268188, 0.25 ], [ 0.6639091968536377, 0.8319545984268188,...	{ "a": 5.8140869140625, "b": 5.8140869140625, "c": 4.735834121704102, "alpha": 90, "beta": 90, "gamma": 120 }	194	Li3Tl	general_inorganic	true	6	null	null	null	null	[ "li" ]	external_cif_tar
tar:OQMD_323923	[ "Se", "Sr" ]	[ 38, 38, 34, 34, 34, 34, 34, 34 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.17499852180480957, 0.34999704360961914, 0.25 ], [ 0.8250014781951904, 0.6500029563903809, 0.75 ], [ 0.8250014781951904, 0.17499852180480957,...	{ "a": 6.16946268081665, "b": 6.16946268081665, "c": 6.064809799194336, "alpha": 90, "beta": 90, "gamma": 120 }	194	SrSe3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_323968	[ "Ru", "Ac" ]	[ 89, 89, 89, 89, 89, 89, 44, 44 ]	8	2	[ [ 0.1888594776391983, 0.3777189552783966, 0.25 ], [ 0.8111405372619629, 0.6222810745239258, 0.75 ], [ 0.8111405372619629, 0.1888594776391983, 0.75 ], [ 0.1888594776391983, 0.8111405372619629, 0.25 ], [ 0.6222810745239258, 0.8111405372619629, ...	{ "a": 8.111200332641602, "b": 8.111200332641602, "c": 4.701015949249268, "alpha": 90, "beta": 90, "gamma": 120 }	194	Ac3Ru	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_323998	[ "Sn", "Gd" ]	[ 64, 64, 50, 50, 50, 50, 50, 50 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.1643543243408203, 0.3287086486816406, 0.25 ], [ 0.8356456756591797, 0.6712913513183594, 0.75 ], [ 0.8356456756591797, 0.1643543243408203, ...	{ "a": 6.496550559997559, "b": 6.496550559997559, "c": 5.7621169090271, "alpha": 90, "beta": 90, "gamma": 120 }	194	GdSn3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_324013	[ "Zn", "Pu" ]	[ 94, 94, 94, 94, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30 ]	16	2	[ [ 0.5, 0.8765277862548828, 0.25 ], [ 0.5, 0.123472198843956, 0.75 ], [ 0, 0.3765277862548828, 0.25 ], [ 0, 0.6234722137451172, 0.75 ], [ 0.1961149275302887, 0.09832028299570084, 0.25 ], [ 0.8038850426673889, 0.9016796946525574, ...	{ "a": 6.793453693389893, "b": 10.074860572814941, "c": 4.399991989135742, "alpha": 90, "beta": 90, "gamma": 90 }	63	PuZn3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_324024	[ "Si", "Rb" ]	[ 37, 37, 14, 14, 14, 14, 14, 14 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.11114437133073807, 0.22228874266147614, 0.25 ], [ 0.8888556361198425, 0.7777112722396851, 0.75 ], [ 0.8888556361198425, 0.11114437133073807,...	{ "a": 7.335148811340332, "b": 7.335148811340332, "c": 4.648850917816162, "alpha": 90, "beta": 90, "gamma": 120 }	194	RbSi3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_324037	[ "Cr", "Sm" ]	[ 62, 62, 24, 24, 24, 24, 24, 24 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.12307436764240265, 0.2461487352848053, 0.25 ], [ 0.8769256472587585, 0.7538512945175171, 0.75 ], [ 0.8769256472587585, 0.12307436764240265, ...	{ "a": 6.253667831420898, "b": 6.253667831420898, "c": 4.086773872375488, "alpha": 90, "beta": 90, "gamma": 120 }	194	SmCr3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_324053	[ "K", "Ca" ]	[ 19, 19, 19, 19, 19, 19, 20, 20 ]	8	2	[ [ 0.1705002337694168, 0.3410004675388336, 0.25 ], [ 0.8294997811317444, 0.658999502658844, 0.75 ], [ 0.8294997811317444, 0.1705002337694168, 0.75 ], [ 0.1705002337694168, 0.8294997811317444, 0.25 ], [ 0.658999502658844, 0.8294997811317444, ...	{ "a": 8.92977237701416, "b": 8.92977237701416, "c": 7.283679008483887, "alpha": 90, "beta": 90, "gamma": 120 }	194	K3Ca	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_324071	[ "Sc", "Mo" ]	[ 21, 21, 21, 21, 21, 21, 42, 42 ]	8	2	[ [ 0.16992540657520294, 0.3398508131504059, 0.25 ], [ 0.8300746083259583, 0.6601492166519165, 0.75 ], [ 0.8300746083259583, 0.16992540657520294, 0.75 ], [ 0.16992540657520294, 0.8300746083259583, 0.25 ], [ 0.6601492166519165, 0.8300746083259583,...	{ "a": 6.108117580413818, "b": 6.108117580413818, "c": 4.869856834411621, "alpha": 90, "beta": 90, "gamma": 120 }	194	Sc3Mo	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_YEIZwfGpBZD6JUVoSGS73BhHNC71	[ "Zr", "Dy" ]	[ 66, 66, 40, 40, 40, 40, 40, 40 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.16133691370487213, 0.32267382740974426, 0.25 ], [ 0.8386631011962891, 0.6773261427879333, 0.75 ], [ 0.8386631011962891, 0.16133691370487213,...	{ "a": 6.619544506072998, "b": 6.619544506072998, "c": 5.240597248077393, "alpha": 90, "beta": 90, "gamma": 120 }	194	DyZr3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_324105	[ "F", "Nd" ]	[ 60, 60, 9, 9, 9, 9, 9, 9 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.17732535302639008, 0.35465070605278015, 0.25 ], [ 0.8226746320724487, 0.6453492641448975, 0.75 ], [ 0.8226746320724487, 0.17732535302639008,...	{ "a": 5.125766277313232, "b": 5.125766277313232, "c": 4.073032855987549, "alpha": 90, "beta": 90, "gamma": 120 }	194	NdF3	general_inorganic	false	null	null	null	null	null	[ "halide" ]	external_cif_tar
tar:OQMD_324119	[ "H", "S" ]	[ 1, 1, 16, 16, 16, 16, 16, 16 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.22410905361175537, 0.44821810722351074, 0.25 ], [ 0.7758909463882446, 0.5517818927764893, 0.75 ], [ 0.7758909463882446, 0.22410905361175537,...	{ "a": 6.426750659942627, "b": 6.426750659942627, "c": 3.9718968868255615, "alpha": 90, "beta": 90, "gamma": 120 }	194	HS3	general_inorganic	false	null	null	null	null	null	[ "sulfide" ]	external_cif_tar
tar:OQMD_324135	[ "Te", "Dy" ]	[ 66, 66, 52, 52, 52, 52, 52, 52 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.17460443079471588, 0.34920886158943176, 0.25 ], [ 0.8253955841064453, 0.6507911682128906, 0.75 ], [ 0.8253955841064453, 0.17460443079471588,...	{ "a": 6.678947448730469, "b": 6.678947448730469, "c": 5.928164005279541, "alpha": 90, "beta": 90, "gamma": 120 }	194	DyTe3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_324152	[ "S", "Ge" ]	[ 32, 32, 32, 32, 32, 32, 16, 16 ]	8	2	[ [ 0.1666666716337204, 0.3333333432674408, 0.25 ], [ 0.8333333134651184, 0.6666666865348816, 0.75 ], [ 0.8333333134651184, 0.1666666716337204, 0.75 ], [ 0.1666666716337204, 0.8333333134651184, 0.25 ], [ 0.6666666865348816, 0.8333333134651184, ...	{ "a": 5.823019027709961, "b": 5.823019027709961, "c": 5.155529975891113, "alpha": 90, "beta": 90, "gamma": 120 }	194	Ge3S	general_inorganic	false	null	null	null	null	null	[ "sulfide" ]	external_cif_tar
tar:OQMD_324167	[ "W", "Pb" ]	[ 82, 82, 74, 74, 74, 74, 74, 74 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.15116986632347107, 0.30233973264694214, 0.25 ], [ 0.8488301038742065, 0.6976602673530579, 0.75 ], [ 0.8488301038742065, 0.15116986632347107,...	{ "a": 5.932783603668213, "b": 5.932783603668213, "c": 4.7133870124816895, "alpha": 90, "beta": 90, "gamma": 120 }	194	PbW3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_324184	[ "Ga", "Ba" ]	[ 56, 56, 56, 56, 56, 56, 31, 31 ]	8	2	[ [ 0.1808152049779892, 0.3616304099559784, 0.25 ], [ 0.8191847801208496, 0.638369619846344, 0.75 ], [ 0.8191847801208496, 0.1808152049779892, 0.75 ], [ 0.1808152049779892, 0.8191847801208496, 0.25 ], [ 0.638369619846344, 0.8191847801208496, ...	{ "a": 8.154996871948242, "b": 8.154996871948242, "c": 5.889383792877197, "alpha": 90, "beta": 90, "gamma": 120 }	194	Ba3Ga	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_324198	[ "Al", "Ag" ]	[ 13, 13, 13, 13, 13, 13, 47, 47 ]	8	2	[ [ 0.1642506867647171, 0.3285013735294342, 0.25 ], [ 0.8357493281364441, 0.6714986562728882, 0.75 ], [ 0.8357493281364441, 0.1642506867647171, 0.75 ], [ 0.1642506867647171, 0.8357493281364441, 0.25 ], [ 0.6714986562728882, 0.8357493281364441, ...	{ "a": 5.798018932342529, "b": 5.798018932342529, "c": 4.676615238189697, "alpha": 90, "beta": 90, "gamma": 120 }	194	Al3Ag	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_324214	[ "Ge", "Sm" ]	[ 62, 62, 62, 62, 62, 62, 32, 32 ]	8	2	[ [ 0.17749741673469543, 0.35499483346939087, 0.25 ], [ 0.8225025534629822, 0.6450051665306091, 0.75 ], [ 0.8225025534629822, 0.17749741673469543, 0.75 ], [ 0.17749741673469543, 0.8225025534629822, 0.25 ], [ 0.6450051665306091, 0.8225025534629822...	{ "a": 6.867670059204102, "b": 6.867670059204102, "c": 5.292931079864502, "alpha": 90, "beta": 90, "gamma": 120 }	194	Sm3Ge	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_324229	[ "Sn", "Pa" ]	[ 91, 91, 50, 50, 50, 50, 50, 50 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.16365887224674225, 0.3273177444934845, 0.25 ], [ 0.836341142654419, 0.6726822853088379, 0.75 ], [ 0.836341142654419, 0.16365887224674225, ...	{ "a": 6.043812274932861, "b": 6.043812274932861, "c": 5.048952102661133, "alpha": 90, "beta": 90, "gamma": 120 }	194	PaSn3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_324244	[ "P", "V" ]	[ 23, 23, 23, 23, 23, 23, 15, 15 ]	8	2	[ [ 0.16295908391475677, 0.32591816782951355, 0.25 ], [ 0.837040901184082, 0.6740818023681641, 0.75 ], [ 0.837040901184082, 0.16295908391475677, 0.75 ], [ 0.16295908391475677, 0.837040901184082, 0.25 ], [ 0.6740818023681641, 0.837040901184082, ...	{ "a": 5.153956413269043, "b": 5.153956413269043, "c": 4.372867107391357, "alpha": 90, "beta": 90, "gamma": 120 }	194	V3P	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_324259	[ "S", "Np" ]	[ 93, 93, 16, 16, 16, 16, 16, 16 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.17625142633914948, 0.35250285267829895, 0.25 ], [ 0.8237485885620117, 0.6474971175193787, 0.75 ], [ 0.8237485885620117, 0.17625142633914948,...	{ "a": 5.629139423370361, "b": 5.629139423370361, "c": 5.1405348777771, "alpha": 90, "beta": 90, "gamma": 120 }	194	NpS3	general_inorganic	false	null	null	null	null	null	[ "sulfide" ]	external_cif_tar
tar:OQMD_324292	[ "Se", "Pd" ]	[ 46, 46, 34, 34, 34, 34, 34, 34 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.1798539012670517, 0.3597078025341034, 0.25 ], [ 0.8201460838317871, 0.640292227268219, 0.75 ], [ 0.8201460838317871, 0.1798539012670517, ...	{ "a": 6.977173328399658, "b": 6.977173328399658, "c": 3.695396900177002, "alpha": 90, "beta": 90, "gamma": 120 }	194	PdSe3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_324311	[ "Ho", "Tl" ]	[ 67, 67, 67, 67, 67, 67, 81, 81 ]	8	2	[ [ 0.17045718431472778, 0.34091436862945557, 0.25 ], [ 0.8295428156852722, 0.6590856313705444, 0.75 ], [ 0.8295428156852722, 0.17045718431472778, 0.75 ], [ 0.17045718431472778, 0.8295428156852722, 0.25 ], [ 0.6590856313705444, 0.8295428156852722...	{ "a": 6.826064109802246, "b": 6.826064109802246, "c": 5.507379055023193, "alpha": 90, "beta": 90, "gamma": 120 }	194	Ho3Tl	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_324326	[ "F", "S" ]	[ 16, 16, 16, 16, 16, 16, 9, 9 ]	8	2	[ [ 0.15656183660030365, 0.3131236732006073, 0.25 ], [ 0.8434381484985352, 0.6868763566017151, 0.75 ], [ 0.8434381484985352, 0.15656183660030365, 0.75 ], [ 0.15656183660030365, 0.8434381484985352, 0.25 ], [ 0.6868763566017151, 0.8434381484985352,...	{ "a": 6.712576866149902, "b": 6.712576866149902, "c": 3.1071090698242188, "alpha": 90, "beta": 90, "gamma": 120 }	194	S3F	general_inorganic	false	null	null	null	null	null	[ "sulfide", "halide" ]	external_cif_tar
tar:OQMD_324375	[ "Se", "Hg" ]	[ 80, 80, 34, 34, 34, 34, 34, 34 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.1599711775779724, 0.3199423551559448, 0.25 ], [ 0.8400288224220276, 0.6800576448440552, 0.75 ], [ 0.8400288224220276, 0.1599711775779724, ...	{ "a": 7.3552069664001465, "b": 7.3552069664001465, "c": 3.8210179805755615, "alpha": 90, "beta": 90, "gamma": 120 }	194	HgSe3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_324411	[ "B", "Au" ]	[ 5, 5, 79, 79, 79, 79, 79, 79 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.16802674531936646, 0.3360534906387329, 0.25 ], [ 0.8319732546806335, 0.6639465093612671, 0.75 ], [ 0.8319732546806335, 0.16802674531936646, ...	{ "a": 5.481269359588623, "b": 5.481269359588623, "c": 5.024375915527344, "alpha": 90, "beta": 90, "gamma": 120 }	194	BAu3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_324423	[ "Tc", "Pr" ]	[ 59, 59, 59, 59, 59, 59, 43, 43 ]	8	2	[ [ 0.18278081715106964, 0.3655616343021393, 0.25 ], [ 0.8172191977500916, 0.6344383358955383, 0.75 ], [ 0.8172191977500916, 0.18278081715106964, 0.75 ], [ 0.18278081715106964, 0.8172191977500916, 0.25 ], [ 0.6344383358955383, 0.8172191977500916,...	{ "a": 7.305088996887207, "b": 7.305088996887207, "c": 4.854890823364258, "alpha": 90, "beta": 90, "gamma": 120 }	194	Pr3Tc	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_324438	[ "Na", "S" ]	[ 11, 11, 16, 16, 16, 16, 16, 16 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.21417929232120514, 0.4283585846424103, 0.25 ], [ 0.785820722579956, 0.5716414451599121, 0.75 ], [ 0.785820722579956, 0.21417929232120514, ...	{ "a": 6.331544399261475, "b": 6.331544399261475, "c": 5.216259956359863, "alpha": 90, "beta": 90, "gamma": 120 }	194	NaS3	general_inorganic	false	null	null	null	null	null	[ "sulfide" ]	external_cif_tar
tar:OQMD_324454	[ "Ge", "In" ]	[ 49, 49, 32, 32, 32, 32, 32, 32 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.15778972208499908, 0.31557944416999817, 0.25 ], [ 0.8422102928161621, 0.6844205856323242, 0.75 ], [ 0.8422102928161621, 0.15778972208499908,...	{ "a": 6.205183506011963, "b": 6.205183506011963, "c": 5.0229291915893555, "alpha": 90, "beta": 90, "gamma": 120 }	194	InGe3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_324491	[ "Fe", "Rb" ]	[ 37, 37, 37, 37, 37, 37, 26, 26 ]	8	2	[ [ 0.17927514016628265, 0.3585502803325653, 0.25 ], [ 0.8207248449325562, 0.6414496898651123, 0.75 ], [ 0.8207248449325562, 0.17927514016628265, 0.75 ], [ 0.17927514016628265, 0.8207248449325562, 0.25 ], [ 0.6414496898651123, 0.8207248449325562,...	{ "a": 8.615948677062988, "b": 8.615948677062988, "c": 6.60941219329834, "alpha": 90, "beta": 90, "gamma": 120 }	194	Rb3Fe	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_324503	[ "F", "Sr" ]	[ 38, 38, 38, 38, 38, 38, 9, 9 ]	8	2	[ [ 0.16807305812835693, 0.33614611625671387, 0.25 ], [ 0.8319269418716431, 0.6638538837432861, 0.75 ], [ 0.8319269418716431, 0.16807305812835693, 0.75 ], [ 0.16807305812835693, 0.8319269418716431, 0.25 ], [ 0.6638538837432861, 0.8319269418716431...	{ "a": 7.506763935089111, "b": 7.506763935089111, "c": 6.317010879516602, "alpha": 90, "beta": 90, "gamma": 120 }	194	Sr3F	general_inorganic	false	null	null	null	null	null	[ "halide" ]	external_cif_tar
tar:OQMD_324521	[ "Ti", "Tm" ]	[ 69, 69, 22, 22, 22, 22, 22, 22 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.15369775891304016, 0.3073955178260803, 0.25 ], [ 0.8463022112846375, 0.6926044821739197, 0.75 ], [ 0.8463022112846375, 0.15369775891304016, ...	{ "a": 6.214089393615723, "b": 6.214089393615723, "c": 4.756433010101318, "alpha": 90, "beta": 90, "gamma": 120 }	194	TmTi3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_324539	[ "Pb", "Np" ]	[ 93, 93, 93, 93, 93, 93, 82, 82 ]	8	2	[ [ 0.1494162380695343, 0.2988324761390686, 0.25 ], [ 0.8505837321281433, 0.7011675238609314, 0.75 ], [ 0.8505837321281433, 0.1494162380695343, 0.75 ], [ 0.1494162380695343, 0.8505837321281433, 0.25 ], [ 0.7011675238609314, 0.8505837321281433, ...	{ "a": 6.373141765594482, "b": 6.373141765594482, "c": 4.988761901855469, "alpha": 90, "beta": 90, "gamma": 120 }	194	Np3Pb	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_2yoFGT3Cw5BgmVS5PjPwsw4FliE4	[ "Br", "Cd" ]	[ 48, 48, 48, 48, 48, 48, 35, 35 ]	8	2	[ [ 0.16239558160305023, 0.32479116320610046, 0.25 ], [ 0.8376044034957886, 0.6752088665962219, 0.75 ], [ 0.8376044034957886, 0.16239558160305023, 0.75 ], [ 0.16239558160305023, 0.8376044034957886, 0.25 ], [ 0.6752088665962219, 0.8376044034957886...	{ "a": 6.372838020324707, "b": 6.372838020324707, "c": 5.146139144897461, "alpha": 90, "beta": 90, "gamma": 120 }	194	Cd3Br	general_inorganic	false	null	null	null	null	null	[ "halide" ]	external_cif_tar
tar:OQMD_324573	[ "Ni", "Eu" ]	[ 63, 63, 28, 28, 28, 28, 28, 28 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.14020676910877228, 0.28041353821754456, 0.25 ], [ 0.8597932457923889, 0.7195864319801331, 0.75 ], [ 0.8597932457923889, 0.14020676910877228,...	{ "a": 5.7735981941223145, "b": 5.7735981941223145, "c": 4.176623821258545, "alpha": 90, "beta": 90, "gamma": 120 }	194	EuNi3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_324610	[ "O", "Pb" ]	[ 82, 82, 8, 8, 8, 8, 8, 8 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.17809610068798065, 0.3561922013759613, 0.25 ], [ 0.8219038844108582, 0.6438077688217163, 0.75 ], [ 0.8219038844108582, 0.17809610068798065, ...	{ "a": 4.709811687469482, "b": 4.709811687469482, "c": 4.486209869384766, "alpha": 90, "beta": 90, "gamma": 120 }	194	PbO3	general_inorganic	false	null	null	null	null	null	[ "oxide" ]	external_cif_tar
tar:OQMD_324626	[ "Ba", "Ho" ]	[ 56, 56, 56, 56, 56, 56, 67, 67 ]	8	2	[ [ 0.17198915779590607, 0.34397831559181213, 0.25 ], [ 0.8280108571052551, 0.6560216546058655, 0.75 ], [ 0.8280108571052551, 0.17198915779590607, 0.75 ], [ 0.17198915779590607, 0.8280108571052551, 0.25 ], [ 0.6560216546058655, 0.8280108571052551...	{ "a": 8.370757102966309, "b": 8.370757102966309, "c": 6.7227091789245605, "alpha": 90, "beta": 90, "gamma": 120 }	194	Ba3Ho	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_324658	[ "B", "Tm" ]	[ 69, 69, 5, 5, 5, 5, 5, 5 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.1128784790635109, 0.2257569581270218, 0.25 ], [ 0.8871214985847473, 0.7742430567741394, 0.75 ], [ 0.8871214985847473, 0.1128784790635109, ...	{ "a": 5.297262668609619, "b": 5.297262668609619, "c": 3.373152017593384, "alpha": 90, "beta": 90, "gamma": 120 }	194	TmB3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_S4e9tSanyHgS0dZjRXtR7tinqSXW	[ "B", "Eu" ]	[ 63, 63, 63, 63, 63, 63, 5, 5 ]	8	2	[ [ 0.20542755722999573, 0.41085511445999146, 0.25 ], [ 0.7945724725723267, 0.5891448855400085, 0.75 ], [ 0.7945724725723267, 0.20542755722999573, 0.75 ], [ 0.20542755722999573, 0.7945724725723267, 0.25 ], [ 0.5891448855400085, 0.7945724725723267...	{ "a": 8.423154830932617, "b": 8.423154830932617, "c": 4.016953468322754, "alpha": 90, "beta": 90, "gamma": 120 }	194	Eu3B	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_324714	[ "Al", "Cu" ]	[ 13, 13, 13, 13, 13, 13, 29, 29 ]	8	2	[ [ 0.16870087385177612, 0.33740174770355225, 0.25 ], [ 0.8312991261482239, 0.6625982522964478, 0.75 ], [ 0.8312991261482239, 0.16870087385177612, 0.75 ], [ 0.16870087385177612, 0.8312991261482239, 0.25 ], [ 0.6625982522964478, 0.8312991261482239...	{ "a": 5.513424873352051, "b": 5.513424873352051, "c": 4.590787887573242, "alpha": 90, "beta": 90, "gamma": 120 }	194	Al3Cu	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_324755	[ "Br", "Th" ]	[ 90, 90, 35, 35, 35, 35, 35, 35 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.1902141273021698, 0.3804282546043396, 0.25 ], [ 0.8097859025001526, 0.6195717453956604, 0.75 ], [ 0.8097859025001526, 0.1902141273021698, ...	{ "a": 8.561643600463867, "b": 8.561643600463867, "c": 3.995326042175293, "alpha": 90, "beta": 90, "gamma": 120 }	194	ThBr3	general_inorganic	false	null	null	null	null	null	[ "halide" ]	external_cif_tar
tar:OQMD_324770	[ "N", "Th" ]	[ 90, 90, 7, 7, 7, 7, 7, 7 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.22412638366222382, 0.44825276732444763, 0.25 ], [ 0.775873601436615, 0.5517472624778748, 0.75 ], [ 0.775873601436615, 0.22412638366222382, ...	{ "a": 4.958210468292236, "b": 4.958210468292236, "c": 4.81330680847168, "alpha": 90, "beta": 90, "gamma": 120 }	194	ThN3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_r0sPzbZVueRLvu6L3_TDC_26X1G0	[ "Al", "Gd" ]	[ 64, 64, 64, 64, 64, 64, 13, 13 ]	8	2	[ [ 0.17575892806053162, 0.35151785612106323, 0.25 ], [ 0.824241042137146, 0.6484821438789368, 0.75 ], [ 0.824241042137146, 0.17575892806053162, 0.75 ], [ 0.17575892806053162, 0.824241042137146, 0.25 ], [ 0.6484821438789368, 0.824241042137146, ...	{ "a": 6.905767440795898, "b": 6.905767440795898, "c": 5.3351287841796875, "alpha": 90, "beta": 90, "gamma": 120 }	194	Gd3Al	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_324843	[ "Gd", "Tm" ]	[ 64, 64, 64, 64, 64, 64, 69, 69 ]	8	2	[ [ 0.16691477596759796, 0.3338295519351959, 0.25 ], [ 0.8330852389335632, 0.6661704778671265, 0.75 ], [ 0.8330852389335632, 0.16691477596759796, 0.75 ], [ 0.16691477596759796, 0.8330852389335632, 0.25 ], [ 0.6661704778671265, 0.8330852389335632,...	{ "a": 7.2029709815979, "b": 7.2029709815979, "c": 5.680323123931885, "alpha": 90, "beta": 90, "gamma": 120 }	194	Gd3Tm	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_324855	[ "Be", "In" ]	[ 4, 4, 4, 4, 4, 4, 49, 49 ]	8	2	[ [ 0.13134731352329254, 0.2626946270465851, 0.25 ], [ 0.8686527013778687, 0.7373054027557373, 0.75 ], [ 0.8686527013778687, 0.13134731352329254, 0.75 ], [ 0.13134731352329254, 0.8686527013778687, 0.25 ], [ 0.7373054027557373, 0.8686527013778687,...	{ "a": 5.534019470214844, "b": 5.534019470214844, "c": 3.7213120460510254, "alpha": 90, "beta": 90, "gamma": 120 }	194	Be3In	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_324871	[ "Cu", "Br" ]	[ 29, 29, 29, 29, 29, 29, 35, 35 ]	8	2	[ [ 0.1444648653268814, 0.2889297306537628, 0.25 ], [ 0.8555351495742798, 0.7110702395439148, 0.75 ], [ 0.8555351495742798, 0.1444648653268814, 0.75 ], [ 0.1444648653268814, 0.8555351495742798, 0.25 ], [ 0.7110702395439148, 0.8555351495742798, ...	{ "a": 5.664155006408691, "b": 5.664155006408691, "c": 4.288041114807129, "alpha": 90, "beta": 90, "gamma": 120 }	194	Cu3Br	general_inorganic	false	null	null	null	null	null	[ "halide" ]	external_cif_tar
tar:NOMAD_35WbCZvAeWXJjbF7sdW7bd031HTk	[ "Ba", "Ho" ]	[ 56, 56, 67, 67, 67, 67, 67, 67 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.15756136178970337, 0.31512272357940674, 0.25 ], [ 0.8424386382102966, 0.6848772764205933, 0.75 ], [ 0.8424386382102966, 0.15756136178970337,...	{ "a": 7.547789096832275, "b": 7.547789096832275, "c": 5.851335048675537, "alpha": 90, "beta": 90, "gamma": 120 }	194	BaHo3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_324904	[ "W", "Pt" ]	[ 78, 78, 74, 74, 74, 74, 74, 74 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.16101092100143433, 0.32202184200286865, 0.25 ], [ 0.8389890789985657, 0.6779781579971313, 0.75 ], [ 0.8389890789985657, 0.16101092100143433,...	{ "a": 5.681567192077637, "b": 5.681567192077637, "c": 4.53634786605835, "alpha": 90, "beta": 90, "gamma": 120 }	194	PtW3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_324918	[ "W", "Au" ]	[ 74, 74, 74, 74, 74, 74, 79, 79 ]	8	2	[ [ 0.15693792700767517, 0.31387585401535034, 0.25 ], [ 0.8430621027946472, 0.6861241459846497, 0.75 ], [ 0.8430621027946472, 0.15693792700767517, 0.75 ], [ 0.15693792700767517, 0.8430621027946472, 0.25 ], [ 0.6861241459846497, 0.8430621027946472...	{ "a": 5.738833904266357, "b": 5.738833904266357, "c": 4.574059009552002, "alpha": 90, "beta": 90, "gamma": 120 }	194	W3Au	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_324935	[ "H", "Nd" ]	[ 60, 60, 1, 1, 1, 1, 1, 1 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.1839749813079834, 0.3679499626159668, 0.25 ], [ 0.8160250186920166, 0.6320500373840332, 0.75 ], [ 0.8160250186920166, 0.1839749813079834, ...	{ "a": 4.953301906585693, "b": 4.953301906585693, "c": 3.9880330562591553, "alpha": 90, "beta": 90, "gamma": 120 }	194	NdH3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_324950	[ "H", "U" ]	[ 92, 92, 1, 1, 1, 1, 1, 1 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.17895682156085968, 0.35791364312171936, 0.25 ], [ 0.8210431933403015, 0.642086386680603, 0.75 ], [ 0.8210431933403015, 0.17895682156085968, ...	{ "a": 4.677351951599121, "b": 4.677351951599121, "c": 3.871009111404419, "alpha": 90, "beta": 90, "gamma": 120 }	194	UH3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_324961	[ "N", "K" ]	[ 19, 19, 7, 7, 7, 7, 7, 7 ]	8	2	[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.12351539731025696, 0.24703079462051392, 0.25 ], [ 0.8764846324920654, 0.7529692053794861, 0.75 ], [ 0.8764846324920654, 0.12351539731025696,...	{ "a": 5.938424587249756, "b": 5.938424587249756, "c": 2.75740909576416, "alpha": 90, "beta": 90, "gamma": 120 }	194	KN3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_324978	[ "O", "Tm" ]	[ 69, 69, 69, 69, 69, 69, 8, 8 ]	8	2	[ [ 0.20636531710624695, 0.4127306342124939, 0.25 ], [ 0.7936347126960754, 0.5872693657875061, 0.75 ], [ 0.7936347126960754, 0.20636531710624695, 0.75 ], [ 0.20636531710624695, 0.7936347126960754, 0.25 ], [ 0.5872693657875061, 0.7936347126960754,...	{ "a": 8.405158042907715, "b": 8.405158042907715, "c": 3.1225459575653076, "alpha": 90, "beta": 90, "gamma": 120 }	194	Tm3O	general_inorganic	false	null	null	null	null	null	[ "oxide" ]	external_cif_tar
tar:OQMD_324993	[ "Be", "Ta" ]	[ 73, 73, 73, 73, 73, 73, 4, 4 ]	8	2	[ [ 0.16975000500679016, 0.3395000100135803, 0.25 ], [ 0.8302499651908875, 0.6604999899864197, 0.75 ], [ 0.8302499651908875, 0.16975000500679016, 0.75 ], [ 0.16975000500679016, 0.8302499651908875, 0.25 ], [ 0.6604999899864197, 0.8302499651908875,...	{ "a": 5.689319610595703, "b": 5.689319610595703, "c": 4.662497043609619, "alpha": 90, "beta": 90, "gamma": 120 }	194	Ta3Be	general_inorganic	false	null	null	null	null	null	null	external_cif_tar

tar:NOMAD_Ro1GlL3FdMgbK1Ep0Nmym33ebCr4

[ "Ge", "Mo" ]

[ 32, 32, 42, 42, 42, 42, 42, 42 ]

8

2

[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.1643824726343155, 0.328764945268631, 0.25 ], [ 0.8356175422668457, 0.6712350249290466, 0.75 ], [ 0.8356175422668457, 0.1643824726343155, ...

{ "a": 5.517621040344238, "b": 5.517621040344238, "c": 4.697787284851074, "alpha": 90, "beta": 90, "gamma": 120 }

194

GeMo3

general_inorganic

false

null

external_cif_tar

tar:OQMD_323039

[ "Cl", "Yb" ]

[ 70, 70, 70, 70, 70, 70, 17, 17 ]

8

2

[ [ 0.16624218225479126, 0.3324843645095825, 0.25 ], [ 0.8337578177452087, 0.6675156354904175, 0.75 ], [ 0.8337578177452087, 0.16624218225479126, 0.75 ], [ 0.16624218225479126, 0.8337578177452087, 0.25 ], [ 0.6675156354904175, 0.8337578177452087,...

{ "a": 7.327498435974121, "b": 7.327498435974121, "c": 6.220091819763184, "alpha": 90, "beta": 90, "gamma": 120 }

194

Yb3Cl

general_inorganic

false

null

[ "halide" ]

external_cif_tar

tar:OQMD_323053

[ "Al", "Ba" ]

[ 56, 56, 13, 13, 13, 13, 13, 13 ]

8

2

[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.12502357363700867, 0.25004714727401733, 0.25 ], [ 0.874976396560669, 0.7499528527259827, 0.75 ], [ 0.874976396560669, 0.12502357363700867, ...

{ "a": 7.403029441833496, "b": 7.403029441833496, "c": 4.609723091125488, "alpha": 90, "beta": 90, "gamma": 120 }

194

BaAl3

general_inorganic

false

null

external_cif_tar

tar:OQMD_323066

[ "Ni", "Pt" ]

[ 28, 28, 78, 78, 78, 78, 78, 78 ]

8

2

[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.16822373867034912, 0.33644747734069824, 0.25 ], [ 0.8317762613296509, 0.6635525226593018, 0.75 ], [ 0.8317762613296509, 0.16822373867034912,...

{ "a": 5.457344055175781, "b": 5.457344055175781, "c": 4.554821968078613, "alpha": 90, "beta": 90, "gamma": 120 }

194

NiPt3

general_inorganic

false

null

external_cif_tar

tar:NOMAD_P-y2fPnsNWSS4VTTDAiOIbxga3TA

[ "Zn", "Rb" ]

[ 37, 37, 37, 37, 37, 37, 30, 30 ]

8

2

[ [ 0.1779109388589859, 0.3558218777179718, 0.25 ], [ 0.8220890760421753, 0.6441781520843506, 0.75 ], [ 0.8220890760421753, 0.1779109388589859, 0.75 ], [ 0.1779109388589859, 0.8220890760421753, 0.25 ], [ 0.6441781520843506, 0.8220890760421753, ...

{ "a": 8.833024024963379, "b": 8.833024024963379, "c": 6.740938663482666, "alpha": 90, "beta": 90, "gamma": 120 }

194

Rb3Zn

general_inorganic

false

null

external_cif_tar

tar:OQMD_323097

[ "Te", "Ho" ]

[ 67, 67, 67, 67, 67, 67, 52, 52 ]

8

2

[ [ 0.16733847558498383, 0.33467695116996765, 0.25 ], [ 0.832661509513855, 0.66532301902771, 0.75 ], [ 0.832661509513855, 0.16733847558498383, 0.75 ], [ 0.16733847558498383, 0.832661509513855, 0.25 ], [ 0.66532301902771, 0.832661509513855, 0....

{ "a": 6.802171230316162, "b": 6.802171230316162, "c": 5.501434803009033, "alpha": 90, "beta": 90, "gamma": 120 }

194

Ho3Te

general_inorganic

false

null

external_cif_tar

tar:OQMD_323111

[ "Nb", "Cd" ]

[ 41, 41, 41, 41, 41, 41, 48, 48 ]

8

2

[ [ 0.161290243268013, 0.322580486536026, 0.25 ], [ 0.8387097716331482, 0.6774194836616516, 0.75 ], [ 0.8387097716331482, 0.161290243268013, 0.75 ], [ 0.161290243268013, 0.8387097716331482, 0.25 ], [ 0.6774194836616516, 0.8387097716331482, 0....

{ "a": 5.967139720916748, "b": 5.967139720916748, "c": 4.8263421058654785, "alpha": 90, "beta": 90, "gamma": 120 }

194

Nb3Cd

general_inorganic

false

null

external_cif_tar

tar:OQMD_323130

[ "Cu", "Yb" ]

[ 70, 70, 70, 70, 70, 70, 29, 29 ]

8

2

[ [ 0.17335310578346252, 0.34670621156692505, 0.25 ], [ 0.8266468644142151, 0.653293788433075, 0.75 ], [ 0.8266468644142151, 0.17335310578346252, 0.75 ], [ 0.17335310578346252, 0.8266468644142151, 0.25 ], [ 0.653293788433075, 0.8266468644142151, ...

{ "a": 6.8293633460998535, "b": 6.8293633460998535, "c": 5.494734764099121, "alpha": 90, "beta": 90, "gamma": 120 }

194

Yb3Cu

general_inorganic

false

null

external_cif_tar

tar:NOMAD_MS49bK0k40InrWjX3LkcGPBL3l9e

[ "La", "Np" ]

[ 57, 57, 93, 93, 93, 93, 93, 93 ]

8

2

[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.14215098321437836, 0.2843019664287567, 0.25 ], [ 0.8578490018844604, 0.7156980037689209, 0.75 ], [ 0.8578490018844604, 0.14215098321437836, ...

{ "a": 6.494341850280762, "b": 6.494341850280762, "c": 5.2943925857543945, "alpha": 90, "beta": 90, "gamma": 120 }

194

LaNp3

general_inorganic

false

null

external_cif_tar

tar:OQMD_323190

[ "Nb", "Ho" ]

[ 67, 67, 41, 41, 41, 41, 41, 41 ]

8

2

[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.14845702052116394, 0.2969140410423279, 0.25 ], [ 0.8515430092811584, 0.7030859589576721, 0.75 ], [ 0.8515430092811584, 0.14845702052116394, ...

{ "a": 6.262500286102295, "b": 6.262500286102295, "c": 5.0493268966674805, "alpha": 90, "beta": 90, "gamma": 120 }

194

HoNb3

general_inorganic

false

null

external_cif_tar

tar:NOMAD_HDFluEYFWZsPe8uY4fLr6j6foEXy

[ "Al", "Ta" ]

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

8

2

[ [ 0.3333333432674408, 0.6666666865348816, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.75 ], [ 0.166262686252594, 0.833737313747406, 0.75 ], [ 0.833737313747406, 0.166262686252594, 0.25 ], [ 0.332525372505188, 0.166262686252594, 0.25...

{ "a": 5.60558557510376, "b": 5.60558557510376, "c": 4.740286827087402, "alpha": 90, "beta": 90, "gamma": 120 }

194

TaAl3

general_inorganic

false

null

external_cif_tar

tar:NOMAD__MY98fbGbtT7Ozk81TrJlP56ObiE

[ "Br", "Np" ]

[ 93, 93, 93, 93, 93, 93, 35, 35 ]

8

2

[ [ 0.15707363188266754, 0.3141472637653351, 0.25 ], [ 0.8429263830184937, 0.6858527660369873, 0.75 ], [ 0.8429263830184937, 0.15707363188266754, 0.75 ], [ 0.15707363188266754, 0.8429263830184937, 0.25 ], [ 0.6858527660369873, 0.8429263830184937,...

{ "a": 5.991541862487793, "b": 5.991541862487793, "c": 5.208835601806641, "alpha": 90, "beta": 90, "gamma": 120 }

194

Np3Br

general_inorganic

false

null

[ "halide" ]

external_cif_tar

tar:OQMD_323232

[ "F", "Al" ]

[ 13, 13, 13, 13, 13, 13, 9, 9 ]

8

2

[ [ 0.16756506264209747, 0.33513012528419495, 0.25 ], [ 0.8324349522590637, 0.6648698449134827, 0.75 ], [ 0.8324349522590637, 0.16756506264209747, 0.75 ], [ 0.16756506264209747, 0.8324349522590637, 0.25 ], [ 0.6648698449134827, 0.8324349522590637...

{ "a": 5.573156356811523, "b": 5.573156356811523, "c": 4.750608921051025, "alpha": 90, "beta": 90, "gamma": 120 }

194

Al3F

general_inorganic

false

null

[ "halide" ]

external_cif_tar

tar:NOMAD_OWdNKLOM1z_JvKgpU2rtMEfDDTv3

[ "Co", "Eu" ]

[ 63, 63, 27, 27, 27, 27, 27, 27 ]

8

2

[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.12692198157310486, 0.2538439631462097, 0.25 ], [ 0.8730779886245728, 0.7461560368537903, 0.75 ], [ 0.8730779886245728, 0.12692198157310486, ...

{ "a": 6.247665882110596, "b": 6.247665882110596, "c": 3.9698421955108643, "alpha": 90, "beta": 90, "gamma": 120 }

194

EuCo3

general_inorganic

false

null

external_cif_tar

tar:NOMAD_Jh2ZFozSMYhhMqlhwKNM3x2zief6

[ "Cl", "Gd" ]

[ 64, 64, 64, 64, 64, 64, 17, 17 ]

8

2

[ [ 0.16491995751857758, 0.32983991503715515, 0.25 ], [ 0.8350800275802612, 0.6701600551605225, 0.75 ], [ 0.8350800275802612, 0.16491995751857758, 0.75 ], [ 0.16491995751857758, 0.8350800275802612, 0.25 ], [ 0.6701600551605225, 0.8350800275802612...

{ "a": 6.835235595703125, "b": 6.835235595703125, "c": 5.7850661277771, "alpha": 90, "beta": 90, "gamma": 120 }

194

Gd3Cl

general_inorganic

false

null

[ "halide" ]

external_cif_tar

tar:NOMAD_d_UPp_8uLqw_TXDL9Jz-bTWD8MdS

[ "Cl", "I" ]

[ 53, 53, 53, 53, 53, 53, 17, 17 ]

8

2

[ [ 0.16501396894454956, 0.3300279378890991, 0.25 ], [ 0.8349860310554504, 0.6699720621109009, 0.75 ], [ 0.8349860310554504, 0.16501396894454956, 0.75 ], [ 0.16501396894454956, 0.8349860310554504, 0.25 ], [ 0.6699720621109009, 0.8349860310554504,...

{ "a": 8.02185344696045, "b": 8.02185344696045, "c": 4.742084980010986, "alpha": 90, "beta": 90, "gamma": 120 }

194

I3Cl

general_inorganic

false

null

[ "halide" ]

external_cif_tar

tar:OQMD_323292

[ "Tl", "Np" ]

[ 93, 93, 93, 93, 93, 93, 81, 81 ]

8

2

[ [ 0.16800639033317566, 0.3360127806663513, 0.25 ], [ 0.8319936394691467, 0.6639872193336487, 0.75 ], [ 0.8319936394691467, 0.16800639033317566, 0.75 ], [ 0.16800639033317566, 0.8319936394691467, 0.25 ], [ 0.6639872193336487, 0.8319936394691467,...

{ "a": 6.564396381378174, "b": 6.564396381378174, "c": 5.282626152038574, "alpha": 90, "beta": 90, "gamma": 120 }

194

Np3Tl

general_inorganic

false

null

external_cif_tar

tar:NOMAD_hDqYPD0tHDkG2dFC0NYdfMlRKLr-

[ "Rh", "Cs" ]

[ 55, 55, 45, 45, 45, 45, 45, 45 ]

8

2

[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.12103766947984695, 0.2420753389596939, 0.25 ], [ 0.8789623379707336, 0.7579246759414673, 0.75 ], [ 0.8789623379707336, 0.12103766947984695, ...

{ "a": 6.9619059562683105, "b": 6.9619059562683105, "c": 4.482904434204102, "alpha": 90, "beta": 90, "gamma": 120 }

194

CsRh3

general_inorganic

false

null

external_cif_tar

tar:NOMAD__9UqC9rdgCt7yy6iYqrkUjDv9APX

[ "C", "Cr" ]

[ 24, 24, 6, 6, 6, 6, 6, 6 ]

8

2

[ [ 0.3333333432674408, 0.6666666865348816, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.75 ], [ 0.2153792381286621, 0.4307584762573242, 0.75 ], [ 0.7846207618713379, 0.5692415237426758, 0.25 ], [ 0.7846207618713379, 0.2153792381286621, ...

{ "a": 4.172823905944824, "b": 4.172823905944824, "c": 4.382291316986084, "alpha": 90, "beta": 90, "gamma": 120 }

194

CrC3

general_inorganic

false

null

external_cif_tar

tar:OQMD_323366

[ "Li", "Np" ]

[ 3, 3, 93, 93, 93, 93, 93, 93 ]

8

2

[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.17934337258338928, 0.35868674516677856, 0.25 ], [ 0.8206566572189331, 0.6413132548332214, 0.75 ], [ 0.8206566572189331, 0.17934337258338928,...

{ "a": 5.757767677307129, "b": 5.757767677307129, "c": 4.479156017303467, "alpha": 90, "beta": 90, "gamma": 120 }

194

LiNp3

general_inorganic

true

2

null

[ "li" ]

external_cif_tar

tar:NOMAD_wngCCjbssrwi4kURE-4555-1z89z

[ "O", "Tl" ]

[ 81, 81, 81, 81, 81, 81, 8, 8 ]

8

2

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194

Tl3O

general_inorganic

false

null

[ "oxide" ]

external_cif_tar

tar:NOMAD_t7ggdU4bcnVKhFciO4ANrMo4dwAj

[ "Ir", "Ac" ]

[ 89, 89, 77, 77, 77, 77, 77, 77 ]

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2

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194

AcIr3

general_inorganic

false

null

external_cif_tar

tar:OQMD_323447

[ "Sn", "U" ]

[ 92, 92, 92, 92, 92, 92, 50, 50 ]

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2

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194

U3Sn

general_inorganic

false

null

external_cif_tar

tar:OQMD_323464

[ "P", "Ag" ]

[ 47, 47, 47, 47, 47, 47, 15, 15 ]

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2

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194

Ag3P

general_inorganic

false

null

external_cif_tar

tar:OQMD_323480

[ "Ca", "Ir" ]

[ 20, 20, 77, 77, 77, 77, 77, 77 ]

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2

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194

CaIr3

general_inorganic

false

null

external_cif_tar

tar:OQMD_323496

[ "Tc", "Nd" ]

[ 60, 60, 60, 60, 60, 60, 43, 43 ]

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2

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194

Nd3Tc

general_inorganic

false

null

external_cif_tar

tar:OQMD_323523

[ "Ag", "Lu" ]

[ 71, 71, 71, 71, 71, 71, 47, 47 ]

8

2

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194

Lu3Ag

general_inorganic

false

null

external_cif_tar

tar:OQMD_323541

[ "H", "Sn" ]

[ 50, 50, 1, 1, 1, 1, 1, 1 ]

8

2

[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.20170335471630096, 0.40340670943260193, 0.25 ], [ 0.7982966303825378, 0.5965933203697205, 0.75 ], [ 0.7982966303825378, 0.20170335471630096,...

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194

SnH3

general_inorganic

false

null

external_cif_tar

tar:OQMD_323558

[ "Eu", "Tb" ]

[ 65, 65, 65, 65, 65, 65, 63, 63 ]

8

2

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194

Tb3Eu

general_inorganic

false

null

external_cif_tar

tar:OQMD_323571

[ "Tm", "Ac" ]

[ 89, 89, 69, 69, 69, 69, 69, 69 ]

8

2

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194

AcTm3

general_inorganic

false

null

external_cif_tar

tar:OQMD_323586

[ "H", "Sm" ]

[ 62, 62, 62, 62, 62, 62, 1, 1 ]

8

2

[ [ 0.2023736834526062, 0.4047473669052124, 0.25 ], [ 0.7976263165473938, 0.5952526330947876, 0.75 ], [ 0.7976263165473938, 0.2023736834526062, 0.75 ], [ 0.2023736834526062, 0.7976263165473938, 0.25 ], [ 0.5952526330947876, 0.7976263165473938, ...

{ "a": 8.522555351257324, "b": 8.522555351257324, "c": 3.48260498046875, "alpha": 90, "beta": 90, "gamma": 120 }

194

Sm3H

general_inorganic

false

null

external_cif_tar

tar:NOMAD_9qlAO4JL4ZChG_Isvfg-MkIwwD3q

[ "Be", "Pu" ]

[ 94, 94, 94, 94, 94, 94, 4, 4 ]

8

2

[ [ 0.1772623211145401, 0.3545246422290802, 0.25 ], [ 0.8227376937866211, 0.6454753279685974, 0.75 ], [ 0.8227376937866211, 0.1772623211145401, 0.75 ], [ 0.1772623211145401, 0.8227376937866211, 0.25 ], [ 0.6454753279685974, 0.8227376937866211, ...

{ "a": 6.268293380737305, "b": 6.268293380737305, "c": 4.68727970123291, "alpha": 90, "beta": 90, "gamma": 120 }

194

Pu3Be

general_inorganic

false

null

external_cif_tar

tar:OQMD_323614

[ "C", "Ru" ]

[ 44, 44, 6, 6, 6, 6, 6, 6 ]

8

2

[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.21768321096897125, 0.4353664219379425, 0.25 ], [ 0.7823168039321899, 0.5646335482597351, 0.75 ], [ 0.7823168039321899, 0.21768321096897125, ...

{ "a": 4.2213616371154785, "b": 4.2213616371154785, "c": 5.211907863616943, "alpha": 90, "beta": 90, "gamma": 120 }

194

RuC3

general_inorganic

false

null

external_cif_tar

tar:OQMD_323628

[ "Cr", "Ni" ]

[ 24, 24, 28, 28, 28, 28, 28, 28 ]

8

2

[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.165882870554924, 0.331765741109848, 0.25 ], [ 0.8341171145439148, 0.6682342886924744, 0.75 ], [ 0.8341171145439148, 0.165882870554924, 0...

{ "a": 4.9979681968688965, "b": 4.9979681968688965, "c": 4.050487041473389, "alpha": 90, "beta": 90, "gamma": 120 }

194

CrNi3

general_inorganic

false

null

external_cif_tar

tar:OQMD_323642

[ "Sc", "Pb" ]

[ 21, 21, 21, 21, 21, 21, 82, 82 ]

8

2

[ [ 0.1671830266714096, 0.3343660533428192, 0.25 ], [ 0.8328169584274292, 0.6656339764595032, 0.75 ], [ 0.8328169584274292, 0.1671830266714096, 0.75 ], [ 0.1671830266714096, 0.8328169584274292, 0.25 ], [ 0.6656339764595032, 0.8328169584274292, ...

{ "a": 6.268388271331787, "b": 6.268388271331787, "c": 5.074944019317627, "alpha": 90, "beta": 90, "gamma": 120 }

194

Sc3Pb

general_inorganic

false

null

external_cif_tar

tar:OQMD_323657

[ "Ag", "Th" ]

[ 90, 90, 90, 90, 90, 90, 47, 47 ]

8

2

[ [ 0.17265935242176056, 0.3453187048435211, 0.25 ], [ 0.8273406624794006, 0.6546813249588013, 0.75 ], [ 0.8273406624794006, 0.17265935242176056, 0.75 ], [ 0.17265935242176056, 0.8273406624794006, 0.25 ], [ 0.6546813249588013, 0.8273406624794006,...

{ "a": 6.936461925506592, "b": 6.936461925506592, "c": 5.4504570960998535, "alpha": 90, "beta": 90, "gamma": 120 }

194

Th3Ag

general_inorganic

false

null

external_cif_tar

tar:OQMD_323673

[ "Li", "Nb" ]

[ 3, 3, 41, 41, 41, 41, 41, 41 ]

8

2

[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.16745980083942413, 0.33491960167884827, 0.25 ], [ 0.8325402140617371, 0.6650804281234741, 0.75 ], [ 0.8325402140617371, 0.16745980083942413,...

{ "a": 5.773894786834717, "b": 5.773894786834717, "c": 4.7479400634765625, "alpha": 90, "beta": 90, "gamma": 120 }

194

LiNb3

general_inorganic

true

2

null

[ "li" ]

external_cif_tar

tar:NOMAD_NVSW7du3MU2fb6tCHB_iIGQYO3yj

[ "Sc", "Ti" ]

[ 21, 21, 21, 21, 21, 21, 22, 22 ]

8

2

[ [ 0.1704525202512741, 0.3409050405025482, 0.25 ], [ 0.8295474648475647, 0.6590949296951294, 0.75 ], [ 0.8295474648475647, 0.1704525202512741, 0.75 ], [ 0.1704525202512741, 0.8295474648475647, 0.25 ], [ 0.6590949296951294, 0.8295474648475647, ...

{ "a": 6.366273403167725, "b": 6.366273403167725, "c": 4.974033355712891, "alpha": 90, "beta": 90, "gamma": 120 }

194

Sc3Ti

general_inorganic

false

null

external_cif_tar

tar:OQMD_323738

[ "Nd", "Pb" ]

[ 60, 60, 82, 82, 82, 82, 82, 82 ]

8

2

[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.16440579295158386, 0.3288115859031677, 0.25 ], [ 0.8355942368507385, 0.6711884140968323, 0.75 ], [ 0.8355942368507385, 0.16440579295158386, ...

{ "a": 6.76218318939209, "b": 6.76218318939209, "c": 5.729616165161133, "alpha": 90, "beta": 90, "gamma": 120 }

194

NdPb3

general_inorganic

false

null

external_cif_tar

tar:OQMD_323753

[ "Ba", "Tl" ]

[ 56, 56, 56, 56, 56, 56, 81, 81 ]

8

2

[ [ 0.17711496353149414, 0.3542299270629883, 0.25 ], [ 0.8228850364685059, 0.6457700729370117, 0.75 ], [ 0.8228850364685059, 0.17711496353149414, 0.75 ], [ 0.17711496353149414, 0.8228850364685059, 0.25 ], [ 0.6457700729370117, 0.8228850364685059,...

{ "a": 8.103824615478516, "b": 8.103824615478516, "c": 6.221202850341797, "alpha": 90, "beta": 90, "gamma": 120 }

194

Ba3Tl

general_inorganic

false

null

external_cif_tar

tar:OQMD_323783

[ "Fe", "Au" ]

[ 26, 26, 79, 79, 79, 79, 79, 79 ]

8

2

[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.16973033547401428, 0.33946067094802856, 0.25 ], [ 0.8302696943283081, 0.6605393290519714, 0.75 ], [ 0.8302696943283081, 0.16973033547401428,...

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194

FeAu3

general_inorganic

false

null

external_cif_tar

tar:OQMD_323798

[ "V", "Tm" ]

[ 69, 69, 69, 69, 69, 69, 23, 23 ]

8

2

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194

Tm3V

general_inorganic

false

null

external_cif_tar

tar:OQMD_323812

[ "O", "Pu" ]

[ 94, 94, 94, 94, 94, 94, 8, 8 ]

8

2

[ [ 0.1977003961801529, 0.3954007923603058, 0.25 ], [ 0.8022996187210083, 0.6045991778373718, 0.75 ], [ 0.8022996187210083, 0.1977003961801529, 0.75 ], [ 0.1977003961801529, 0.8022996187210083, 0.25 ], [ 0.6045991778373718, 0.8022996187210083, ...

{ "a": 7.9323225021362305, "b": 7.9323225021362305, "c": 3.532543897628784, "alpha": 90, "beta": 90, "gamma": 120 }

194

Pu3O

general_inorganic

false

null

[ "oxide" ]

external_cif_tar

tar:NOMAD_tp4YTPWd5Aq-zRIJSAHfxq7eX-wn

[ "V", "La" ]

[ 57, 57, 23, 23, 23, 23, 23, 23 ]

8

2

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194

LaV3

general_inorganic

false

null

external_cif_tar

tar:OQMD_323844

[ "F", "Ga" ]

[ 31, 31, 31, 31, 31, 31, 9, 9 ]

8

2

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{ "a": 5.589699745178223, "b": 5.589699745178223, "c": 4.77951717376709, "alpha": 90, "beta": 90, "gamma": 120 }

194

Ga3F

general_inorganic

false

null

[ "halide" ]

external_cif_tar

tar:OQMD_323859

[ "B", "Rh" ]

[ 5, 5, 5, 5, 5, 5, 45, 45 ]

8

2

[ [ 0.12675462663173676, 0.2535092532634735, 0.25 ], [ 0.873245358467102, 0.7464907765388489, 0.75 ], [ 0.873245358467102, 0.12675462663173676, 0.75 ], [ 0.12675462663173676, 0.873245358467102, 0.25 ], [ 0.7464907765388489, 0.873245358467102, ...

{ "a": 4.722115516662598, "b": 4.722115516662598, "c": 3.362457036972046, "alpha": 90, "beta": 90, "gamma": 120 }

194

B3Rh

general_inorganic

false

null

external_cif_tar

tar:OQMD_323907

[ "Li", "Tl" ]

[ 3, 3, 3, 3, 3, 3, 81, 81 ]

8

2

[ [ 0.16804541647434235, 0.3360908329486847, 0.25 ], [ 0.8319545984268188, 0.6639091968536377, 0.75 ], [ 0.8319545984268188, 0.16804541647434235, 0.75 ], [ 0.16804541647434235, 0.8319545984268188, 0.25 ], [ 0.6639091968536377, 0.8319545984268188,...

{ "a": 5.8140869140625, "b": 5.8140869140625, "c": 4.735834121704102, "alpha": 90, "beta": 90, "gamma": 120 }

194

Li3Tl

general_inorganic

true

6

null

[ "li" ]

external_cif_tar

tar:OQMD_323923

[ "Se", "Sr" ]

[ 38, 38, 34, 34, 34, 34, 34, 34 ]

8

2

[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.17499852180480957, 0.34999704360961914, 0.25 ], [ 0.8250014781951904, 0.6500029563903809, 0.75 ], [ 0.8250014781951904, 0.17499852180480957,...

{ "a": 6.16946268081665, "b": 6.16946268081665, "c": 6.064809799194336, "alpha": 90, "beta": 90, "gamma": 120 }

194

SrSe3

general_inorganic

false

null

external_cif_tar

tar:OQMD_323968

[ "Ru", "Ac" ]

[ 89, 89, 89, 89, 89, 89, 44, 44 ]

8

2

[ [ 0.1888594776391983, 0.3777189552783966, 0.25 ], [ 0.8111405372619629, 0.6222810745239258, 0.75 ], [ 0.8111405372619629, 0.1888594776391983, 0.75 ], [ 0.1888594776391983, 0.8111405372619629, 0.25 ], [ 0.6222810745239258, 0.8111405372619629, ...

{ "a": 8.111200332641602, "b": 8.111200332641602, "c": 4.701015949249268, "alpha": 90, "beta": 90, "gamma": 120 }

194

Ac3Ru

general_inorganic

false

null

external_cif_tar

tar:OQMD_323998

[ "Sn", "Gd" ]

[ 64, 64, 50, 50, 50, 50, 50, 50 ]

8

2

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{ "a": 6.496550559997559, "b": 6.496550559997559, "c": 5.7621169090271, "alpha": 90, "beta": 90, "gamma": 120 }

194

GdSn3

general_inorganic

false

null

external_cif_tar

tar:OQMD_324013

[ "Zn", "Pu" ]

[ 94, 94, 94, 94, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30 ]

16

2

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{ "a": 6.793453693389893, "b": 10.074860572814941, "c": 4.399991989135742, "alpha": 90, "beta": 90, "gamma": 90 }

63

PuZn3

general_inorganic

false

null

external_cif_tar

tar:OQMD_324024

[ "Si", "Rb" ]

[ 37, 37, 14, 14, 14, 14, 14, 14 ]

8

2

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{ "a": 7.335148811340332, "b": 7.335148811340332, "c": 4.648850917816162, "alpha": 90, "beta": 90, "gamma": 120 }

194

RbSi3

general_inorganic

false

null

external_cif_tar

tar:OQMD_324037

[ "Cr", "Sm" ]

[ 62, 62, 24, 24, 24, 24, 24, 24 ]

8

2

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194

SmCr3

general_inorganic

false

null

external_cif_tar

tar:OQMD_324053

[ "K", "Ca" ]

[ 19, 19, 19, 19, 19, 19, 20, 20 ]

8

2

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194

K3Ca

general_inorganic

false

null

external_cif_tar

tar:OQMD_324071

[ "Sc", "Mo" ]

[ 21, 21, 21, 21, 21, 21, 42, 42 ]

8

2

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194

Sc3Mo

general_inorganic

false

null

external_cif_tar

tar:NOMAD_YEIZwfGpBZD6JUVoSGS73BhHNC71

[ "Zr", "Dy" ]

[ 66, 66, 40, 40, 40, 40, 40, 40 ]

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2

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194

DyZr3

general_inorganic

false

null

external_cif_tar

tar:OQMD_324105

[ "F", "Nd" ]

[ 60, 60, 9, 9, 9, 9, 9, 9 ]

8

2

[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.17732535302639008, 0.35465070605278015, 0.25 ], [ 0.8226746320724487, 0.6453492641448975, 0.75 ], [ 0.8226746320724487, 0.17732535302639008,...

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194

NdF3

general_inorganic

false

null

[ "halide" ]

external_cif_tar

tar:OQMD_324119

[ "H", "S" ]

[ 1, 1, 16, 16, 16, 16, 16, 16 ]

8

2

[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.22410905361175537, 0.44821810722351074, 0.25 ], [ 0.7758909463882446, 0.5517818927764893, 0.75 ], [ 0.7758909463882446, 0.22410905361175537,...

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194

HS3

general_inorganic

false

null

[ "sulfide" ]

external_cif_tar

tar:OQMD_324135

[ "Te", "Dy" ]

[ 66, 66, 52, 52, 52, 52, 52, 52 ]

8

2

[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.17460443079471588, 0.34920886158943176, 0.25 ], [ 0.8253955841064453, 0.6507911682128906, 0.75 ], [ 0.8253955841064453, 0.17460443079471588,...

{ "a": 6.678947448730469, "b": 6.678947448730469, "c": 5.928164005279541, "alpha": 90, "beta": 90, "gamma": 120 }

194

DyTe3

general_inorganic

false

null

external_cif_tar

tar:OQMD_324152

[ "S", "Ge" ]

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

8

2

[ [ 0.1666666716337204, 0.3333333432674408, 0.25 ], [ 0.8333333134651184, 0.6666666865348816, 0.75 ], [ 0.8333333134651184, 0.1666666716337204, 0.75 ], [ 0.1666666716337204, 0.8333333134651184, 0.25 ], [ 0.6666666865348816, 0.8333333134651184, ...

{ "a": 5.823019027709961, "b": 5.823019027709961, "c": 5.155529975891113, "alpha": 90, "beta": 90, "gamma": 120 }

194

Ge3S

general_inorganic

false

null

[ "sulfide" ]

external_cif_tar

tar:OQMD_324167

[ "W", "Pb" ]

[ 82, 82, 74, 74, 74, 74, 74, 74 ]

8

2

[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.15116986632347107, 0.30233973264694214, 0.25 ], [ 0.8488301038742065, 0.6976602673530579, 0.75 ], [ 0.8488301038742065, 0.15116986632347107,...

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194

PbW3

general_inorganic

false

null

external_cif_tar

tar:OQMD_324184

[ "Ga", "Ba" ]

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

8

2

[ [ 0.1808152049779892, 0.3616304099559784, 0.25 ], [ 0.8191847801208496, 0.638369619846344, 0.75 ], [ 0.8191847801208496, 0.1808152049779892, 0.75 ], [ 0.1808152049779892, 0.8191847801208496, 0.25 ], [ 0.638369619846344, 0.8191847801208496, ...

{ "a": 8.154996871948242, "b": 8.154996871948242, "c": 5.889383792877197, "alpha": 90, "beta": 90, "gamma": 120 }

194

Ba3Ga

general_inorganic

false

null

external_cif_tar

tar:OQMD_324198

[ "Al", "Ag" ]

[ 13, 13, 13, 13, 13, 13, 47, 47 ]

8

2

[ [ 0.1642506867647171, 0.3285013735294342, 0.25 ], [ 0.8357493281364441, 0.6714986562728882, 0.75 ], [ 0.8357493281364441, 0.1642506867647171, 0.75 ], [ 0.1642506867647171, 0.8357493281364441, 0.25 ], [ 0.6714986562728882, 0.8357493281364441, ...

{ "a": 5.798018932342529, "b": 5.798018932342529, "c": 4.676615238189697, "alpha": 90, "beta": 90, "gamma": 120 }

194

Al3Ag

general_inorganic

false

null

external_cif_tar

tar:OQMD_324214

[ "Ge", "Sm" ]

[ 62, 62, 62, 62, 62, 62, 32, 32 ]

8

2

[ [ 0.17749741673469543, 0.35499483346939087, 0.25 ], [ 0.8225025534629822, 0.6450051665306091, 0.75 ], [ 0.8225025534629822, 0.17749741673469543, 0.75 ], [ 0.17749741673469543, 0.8225025534629822, 0.25 ], [ 0.6450051665306091, 0.8225025534629822...

{ "a": 6.867670059204102, "b": 6.867670059204102, "c": 5.292931079864502, "alpha": 90, "beta": 90, "gamma": 120 }

194

Sm3Ge

general_inorganic

false

null

external_cif_tar

tar:OQMD_324229

[ "Sn", "Pa" ]

[ 91, 91, 50, 50, 50, 50, 50, 50 ]

8

2

[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.16365887224674225, 0.3273177444934845, 0.25 ], [ 0.836341142654419, 0.6726822853088379, 0.75 ], [ 0.836341142654419, 0.16365887224674225, ...

{ "a": 6.043812274932861, "b": 6.043812274932861, "c": 5.048952102661133, "alpha": 90, "beta": 90, "gamma": 120 }

194

PaSn3

general_inorganic

false

null

external_cif_tar

tar:OQMD_324244

[ "P", "V" ]

[ 23, 23, 23, 23, 23, 23, 15, 15 ]

8

2

[ [ 0.16295908391475677, 0.32591816782951355, 0.25 ], [ 0.837040901184082, 0.6740818023681641, 0.75 ], [ 0.837040901184082, 0.16295908391475677, 0.75 ], [ 0.16295908391475677, 0.837040901184082, 0.25 ], [ 0.6740818023681641, 0.837040901184082, ...

{ "a": 5.153956413269043, "b": 5.153956413269043, "c": 4.372867107391357, "alpha": 90, "beta": 90, "gamma": 120 }

194

V3P

general_inorganic

false

null

external_cif_tar

tar:OQMD_324259

[ "S", "Np" ]

[ 93, 93, 16, 16, 16, 16, 16, 16 ]

8

2

[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.17625142633914948, 0.35250285267829895, 0.25 ], [ 0.8237485885620117, 0.6474971175193787, 0.75 ], [ 0.8237485885620117, 0.17625142633914948,...

{ "a": 5.629139423370361, "b": 5.629139423370361, "c": 5.1405348777771, "alpha": 90, "beta": 90, "gamma": 120 }

194

NpS3

general_inorganic

false

null

[ "sulfide" ]

external_cif_tar

tar:OQMD_324292

[ "Se", "Pd" ]

[ 46, 46, 34, 34, 34, 34, 34, 34 ]

8

2

[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.1798539012670517, 0.3597078025341034, 0.25 ], [ 0.8201460838317871, 0.640292227268219, 0.75 ], [ 0.8201460838317871, 0.1798539012670517, ...

{ "a": 6.977173328399658, "b": 6.977173328399658, "c": 3.695396900177002, "alpha": 90, "beta": 90, "gamma": 120 }

194

PdSe3

general_inorganic

false

null

external_cif_tar

tar:OQMD_324311

[ "Ho", "Tl" ]

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

8

2

[ [ 0.17045718431472778, 0.34091436862945557, 0.25 ], [ 0.8295428156852722, 0.6590856313705444, 0.75 ], [ 0.8295428156852722, 0.17045718431472778, 0.75 ], [ 0.17045718431472778, 0.8295428156852722, 0.25 ], [ 0.6590856313705444, 0.8295428156852722...

{ "a": 6.826064109802246, "b": 6.826064109802246, "c": 5.507379055023193, "alpha": 90, "beta": 90, "gamma": 120 }

194

Ho3Tl

general_inorganic

false

null

external_cif_tar

tar:OQMD_324326

[ "F", "S" ]

[ 16, 16, 16, 16, 16, 16, 9, 9 ]

8

2

[ [ 0.15656183660030365, 0.3131236732006073, 0.25 ], [ 0.8434381484985352, 0.6868763566017151, 0.75 ], [ 0.8434381484985352, 0.15656183660030365, 0.75 ], [ 0.15656183660030365, 0.8434381484985352, 0.25 ], [ 0.6868763566017151, 0.8434381484985352,...

{ "a": 6.712576866149902, "b": 6.712576866149902, "c": 3.1071090698242188, "alpha": 90, "beta": 90, "gamma": 120 }

194

S3F

general_inorganic

false

null

[ "sulfide", "halide" ]

external_cif_tar

tar:OQMD_324375

[ "Se", "Hg" ]

[ 80, 80, 34, 34, 34, 34, 34, 34 ]

8

2

[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.1599711775779724, 0.3199423551559448, 0.25 ], [ 0.8400288224220276, 0.6800576448440552, 0.75 ], [ 0.8400288224220276, 0.1599711775779724, ...

{ "a": 7.3552069664001465, "b": 7.3552069664001465, "c": 3.8210179805755615, "alpha": 90, "beta": 90, "gamma": 120 }

194

HgSe3

general_inorganic

false

null

external_cif_tar

tar:OQMD_324411

[ "B", "Au" ]

[ 5, 5, 79, 79, 79, 79, 79, 79 ]

8

2

[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.16802674531936646, 0.3360534906387329, 0.25 ], [ 0.8319732546806335, 0.6639465093612671, 0.75 ], [ 0.8319732546806335, 0.16802674531936646, ...

{ "a": 5.481269359588623, "b": 5.481269359588623, "c": 5.024375915527344, "alpha": 90, "beta": 90, "gamma": 120 }

194

BAu3

general_inorganic

false

null

external_cif_tar

tar:OQMD_324423

[ "Tc", "Pr" ]

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

8

2

[ [ 0.18278081715106964, 0.3655616343021393, 0.25 ], [ 0.8172191977500916, 0.6344383358955383, 0.75 ], [ 0.8172191977500916, 0.18278081715106964, 0.75 ], [ 0.18278081715106964, 0.8172191977500916, 0.25 ], [ 0.6344383358955383, 0.8172191977500916,...

{ "a": 7.305088996887207, "b": 7.305088996887207, "c": 4.854890823364258, "alpha": 90, "beta": 90, "gamma": 120 }

194

Pr3Tc

general_inorganic

false

null

external_cif_tar

tar:OQMD_324438

[ "Na", "S" ]

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

8

2

[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.21417929232120514, 0.4283585846424103, 0.25 ], [ 0.785820722579956, 0.5716414451599121, 0.75 ], [ 0.785820722579956, 0.21417929232120514, ...

{ "a": 6.331544399261475, "b": 6.331544399261475, "c": 5.216259956359863, "alpha": 90, "beta": 90, "gamma": 120 }

194

NaS3

general_inorganic

false

null

[ "sulfide" ]

external_cif_tar

tar:OQMD_324454

[ "Ge", "In" ]

[ 49, 49, 32, 32, 32, 32, 32, 32 ]

8

2

[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.15778972208499908, 0.31557944416999817, 0.25 ], [ 0.8422102928161621, 0.6844205856323242, 0.75 ], [ 0.8422102928161621, 0.15778972208499908,...

{ "a": 6.205183506011963, "b": 6.205183506011963, "c": 5.0229291915893555, "alpha": 90, "beta": 90, "gamma": 120 }

194

InGe3

general_inorganic

false

null

external_cif_tar

tar:OQMD_324491

[ "Fe", "Rb" ]

[ 37, 37, 37, 37, 37, 37, 26, 26 ]

8

2

[ [ 0.17927514016628265, 0.3585502803325653, 0.25 ], [ 0.8207248449325562, 0.6414496898651123, 0.75 ], [ 0.8207248449325562, 0.17927514016628265, 0.75 ], [ 0.17927514016628265, 0.8207248449325562, 0.25 ], [ 0.6414496898651123, 0.8207248449325562,...

{ "a": 8.615948677062988, "b": 8.615948677062988, "c": 6.60941219329834, "alpha": 90, "beta": 90, "gamma": 120 }

194

Rb3Fe

general_inorganic

false

null

external_cif_tar

tar:OQMD_324503

[ "F", "Sr" ]

[ 38, 38, 38, 38, 38, 38, 9, 9 ]

8

2

[ [ 0.16807305812835693, 0.33614611625671387, 0.25 ], [ 0.8319269418716431, 0.6638538837432861, 0.75 ], [ 0.8319269418716431, 0.16807305812835693, 0.75 ], [ 0.16807305812835693, 0.8319269418716431, 0.25 ], [ 0.6638538837432861, 0.8319269418716431...

{ "a": 7.506763935089111, "b": 7.506763935089111, "c": 6.317010879516602, "alpha": 90, "beta": 90, "gamma": 120 }

194

Sr3F

general_inorganic

false

null

[ "halide" ]

external_cif_tar

tar:OQMD_324521

[ "Ti", "Tm" ]

[ 69, 69, 22, 22, 22, 22, 22, 22 ]

8

2

[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.15369775891304016, 0.3073955178260803, 0.25 ], [ 0.8463022112846375, 0.6926044821739197, 0.75 ], [ 0.8463022112846375, 0.15369775891304016, ...

{ "a": 6.214089393615723, "b": 6.214089393615723, "c": 4.756433010101318, "alpha": 90, "beta": 90, "gamma": 120 }

194

TmTi3

general_inorganic

false

null

external_cif_tar

tar:OQMD_324539

[ "Pb", "Np" ]

[ 93, 93, 93, 93, 93, 93, 82, 82 ]

8

2

[ [ 0.1494162380695343, 0.2988324761390686, 0.25 ], [ 0.8505837321281433, 0.7011675238609314, 0.75 ], [ 0.8505837321281433, 0.1494162380695343, 0.75 ], [ 0.1494162380695343, 0.8505837321281433, 0.25 ], [ 0.7011675238609314, 0.8505837321281433, ...

{ "a": 6.373141765594482, "b": 6.373141765594482, "c": 4.988761901855469, "alpha": 90, "beta": 90, "gamma": 120 }

194

Np3Pb

general_inorganic

false

null

external_cif_tar

tar:NOMAD_2yoFGT3Cw5BgmVS5PjPwsw4FliE4

[ "Br", "Cd" ]

[ 48, 48, 48, 48, 48, 48, 35, 35 ]

8

2

[ [ 0.16239558160305023, 0.32479116320610046, 0.25 ], [ 0.8376044034957886, 0.6752088665962219, 0.75 ], [ 0.8376044034957886, 0.16239558160305023, 0.75 ], [ 0.16239558160305023, 0.8376044034957886, 0.25 ], [ 0.6752088665962219, 0.8376044034957886...

{ "a": 6.372838020324707, "b": 6.372838020324707, "c": 5.146139144897461, "alpha": 90, "beta": 90, "gamma": 120 }

194

Cd3Br

general_inorganic

false

null

[ "halide" ]

external_cif_tar

tar:OQMD_324573

[ "Ni", "Eu" ]

[ 63, 63, 28, 28, 28, 28, 28, 28 ]

8

2

[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.14020676910877228, 0.28041353821754456, 0.25 ], [ 0.8597932457923889, 0.7195864319801331, 0.75 ], [ 0.8597932457923889, 0.14020676910877228,...

{ "a": 5.7735981941223145, "b": 5.7735981941223145, "c": 4.176623821258545, "alpha": 90, "beta": 90, "gamma": 120 }

194

EuNi3

general_inorganic

false

null

external_cif_tar

tar:OQMD_324610

[ "O", "Pb" ]

[ 82, 82, 8, 8, 8, 8, 8, 8 ]

8

2

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194

PbO3

general_inorganic

false

null

[ "oxide" ]

external_cif_tar

tar:OQMD_324626

[ "Ba", "Ho" ]

[ 56, 56, 56, 56, 56, 56, 67, 67 ]

8

2

[ [ 0.17198915779590607, 0.34397831559181213, 0.25 ], [ 0.8280108571052551, 0.6560216546058655, 0.75 ], [ 0.8280108571052551, 0.17198915779590607, 0.75 ], [ 0.17198915779590607, 0.8280108571052551, 0.25 ], [ 0.6560216546058655, 0.8280108571052551...

{ "a": 8.370757102966309, "b": 8.370757102966309, "c": 6.7227091789245605, "alpha": 90, "beta": 90, "gamma": 120 }

194

Ba3Ho

general_inorganic

false

null

external_cif_tar

tar:OQMD_324658

[ "B", "Tm" ]

[ 69, 69, 5, 5, 5, 5, 5, 5 ]

8

2

[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.1128784790635109, 0.2257569581270218, 0.25 ], [ 0.8871214985847473, 0.7742430567741394, 0.75 ], [ 0.8871214985847473, 0.1128784790635109, ...

{ "a": 5.297262668609619, "b": 5.297262668609619, "c": 3.373152017593384, "alpha": 90, "beta": 90, "gamma": 120 }

194

TmB3

general_inorganic

false

null

external_cif_tar

tar:NOMAD_S4e9tSanyHgS0dZjRXtR7tinqSXW

[ "B", "Eu" ]

[ 63, 63, 63, 63, 63, 63, 5, 5 ]

8

2

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194

Eu3B

general_inorganic

false

null

external_cif_tar

tar:OQMD_324714

[ "Al", "Cu" ]

[ 13, 13, 13, 13, 13, 13, 29, 29 ]

8

2

[ [ 0.16870087385177612, 0.33740174770355225, 0.25 ], [ 0.8312991261482239, 0.6625982522964478, 0.75 ], [ 0.8312991261482239, 0.16870087385177612, 0.75 ], [ 0.16870087385177612, 0.8312991261482239, 0.25 ], [ 0.6625982522964478, 0.8312991261482239...

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194

Al3Cu

general_inorganic

false

null

external_cif_tar

tar:OQMD_324755

[ "Br", "Th" ]

[ 90, 90, 35, 35, 35, 35, 35, 35 ]

8

2

[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.1902141273021698, 0.3804282546043396, 0.25 ], [ 0.8097859025001526, 0.6195717453956604, 0.75 ], [ 0.8097859025001526, 0.1902141273021698, ...

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194

ThBr3

general_inorganic

false

null

[ "halide" ]

external_cif_tar

tar:OQMD_324770

[ "N", "Th" ]

[ 90, 90, 7, 7, 7, 7, 7, 7 ]

8

2

[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.22412638366222382, 0.44825276732444763, 0.25 ], [ 0.775873601436615, 0.5517472624778748, 0.75 ], [ 0.775873601436615, 0.22412638366222382, ...

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194

ThN3

general_inorganic

false

null

external_cif_tar

tar:NOMAD_r0sPzbZVueRLvu6L3_TDC_26X1G0

[ "Al", "Gd" ]

[ 64, 64, 64, 64, 64, 64, 13, 13 ]

8

2

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194

Gd3Al

general_inorganic

false

null

external_cif_tar

tar:OQMD_324843

[ "Gd", "Tm" ]

[ 64, 64, 64, 64, 64, 64, 69, 69 ]

8

2

[ [ 0.16691477596759796, 0.3338295519351959, 0.25 ], [ 0.8330852389335632, 0.6661704778671265, 0.75 ], [ 0.8330852389335632, 0.16691477596759796, 0.75 ], [ 0.16691477596759796, 0.8330852389335632, 0.25 ], [ 0.6661704778671265, 0.8330852389335632,...

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194

Gd3Tm

general_inorganic

false

null

external_cif_tar

tar:OQMD_324855

[ "Be", "In" ]

[ 4, 4, 4, 4, 4, 4, 49, 49 ]

8

2

[ [ 0.13134731352329254, 0.2626946270465851, 0.25 ], [ 0.8686527013778687, 0.7373054027557373, 0.75 ], [ 0.8686527013778687, 0.13134731352329254, 0.75 ], [ 0.13134731352329254, 0.8686527013778687, 0.25 ], [ 0.7373054027557373, 0.8686527013778687,...

{ "a": 5.534019470214844, "b": 5.534019470214844, "c": 3.7213120460510254, "alpha": 90, "beta": 90, "gamma": 120 }

194

Be3In

general_inorganic

false

null

external_cif_tar

tar:OQMD_324871

[ "Cu", "Br" ]

[ 29, 29, 29, 29, 29, 29, 35, 35 ]

8

2

[ [ 0.1444648653268814, 0.2889297306537628, 0.25 ], [ 0.8555351495742798, 0.7110702395439148, 0.75 ], [ 0.8555351495742798, 0.1444648653268814, 0.75 ], [ 0.1444648653268814, 0.8555351495742798, 0.25 ], [ 0.7110702395439148, 0.8555351495742798, ...

{ "a": 5.664155006408691, "b": 5.664155006408691, "c": 4.288041114807129, "alpha": 90, "beta": 90, "gamma": 120 }

194

Cu3Br

general_inorganic

false

null

[ "halide" ]

external_cif_tar

tar:NOMAD_35WbCZvAeWXJjbF7sdW7bd031HTk

[ "Ba", "Ho" ]

[ 56, 56, 67, 67, 67, 67, 67, 67 ]

8

2

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{ "a": 7.547789096832275, "b": 7.547789096832275, "c": 5.851335048675537, "alpha": 90, "beta": 90, "gamma": 120 }

194

BaHo3

general_inorganic

false

null

external_cif_tar

tar:OQMD_324904

[ "W", "Pt" ]

[ 78, 78, 74, 74, 74, 74, 74, 74 ]

8

2

[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.16101092100143433, 0.32202184200286865, 0.25 ], [ 0.8389890789985657, 0.6779781579971313, 0.75 ], [ 0.8389890789985657, 0.16101092100143433,...

{ "a": 5.681567192077637, "b": 5.681567192077637, "c": 4.53634786605835, "alpha": 90, "beta": 90, "gamma": 120 }

194

PtW3

general_inorganic

false

null

external_cif_tar

tar:OQMD_324918

[ "W", "Au" ]

[ 74, 74, 74, 74, 74, 74, 79, 79 ]

8

2

[ [ 0.15693792700767517, 0.31387585401535034, 0.25 ], [ 0.8430621027946472, 0.6861241459846497, 0.75 ], [ 0.8430621027946472, 0.15693792700767517, 0.75 ], [ 0.15693792700767517, 0.8430621027946472, 0.25 ], [ 0.6861241459846497, 0.8430621027946472...

{ "a": 5.738833904266357, "b": 5.738833904266357, "c": 4.574059009552002, "alpha": 90, "beta": 90, "gamma": 120 }

194

W3Au

general_inorganic

false

null

external_cif_tar

tar:OQMD_324935

[ "H", "Nd" ]

[ 60, 60, 1, 1, 1, 1, 1, 1 ]

8

2

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{ "a": 4.953301906585693, "b": 4.953301906585693, "c": 3.9880330562591553, "alpha": 90, "beta": 90, "gamma": 120 }

194

NdH3

general_inorganic

false

null

external_cif_tar

tar:OQMD_324950

[ "H", "U" ]

[ 92, 92, 1, 1, 1, 1, 1, 1 ]

8

2

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{ "a": 4.677351951599121, "b": 4.677351951599121, "c": 3.871009111404419, "alpha": 90, "beta": 90, "gamma": 120 }

194

UH3

general_inorganic

false

null

external_cif_tar

tar:OQMD_324961

[ "N", "K" ]

[ 19, 19, 7, 7, 7, 7, 7, 7 ]

8

2

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{ "a": 5.938424587249756, "b": 5.938424587249756, "c": 2.75740909576416, "alpha": 90, "beta": 90, "gamma": 120 }

194

KN3

general_inorganic

false

null

external_cif_tar

tar:OQMD_324978

[ "O", "Tm" ]

[ 69, 69, 69, 69, 69, 69, 8, 8 ]

8

2

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{ "a": 8.405158042907715, "b": 8.405158042907715, "c": 3.1225459575653076, "alpha": 90, "beta": 90, "gamma": 120 }

194

Tm3O

general_inorganic

false

null

[ "oxide" ]

external_cif_tar

tar:OQMD_324993

[ "Be", "Ta" ]

[ 73, 73, 73, 73, 73, 73, 4, 4 ]

8

2

[ [ 0.16975000500679016, 0.3395000100135803, 0.25 ], [ 0.8302499651908875, 0.6604999899864197, 0.75 ], [ 0.8302499651908875, 0.16975000500679016, 0.75 ], [ 0.16975000500679016, 0.8302499651908875, 0.25 ], [ 0.6604999899864197, 0.8302499651908875,...

{ "a": 5.689319610595703, "b": 5.689319610595703, "c": 4.662497043609619, "alpha": 90, "beta": 90, "gamma": 120 }

194

Ta3Be

general_inorganic

false

null

external_cif_tar