Allanatrix/SSB_Dataset · Datasets at Hugging Face

mp_id stringlengths 4 38	elements listlengths 1 10	atomic_numbers listlengths 1 200	num_atoms int32 1 200	num_elements int32 1 10	fractional_coords listlengths 1 200	lattice dict	spacegroup_number int32 0 230	reduced_formula stringlengths 1 24	tier stringclasses 3 values	is_li_containing bool 2 classes	num_li_atoms int32 0 104 ⌀	band_gap float32 0 17.9 ⌀	energy_above_hull float32 0 9.71 ⌀	formation_energy_per_atom float32 -5.15 8.99 ⌀	is_metal bool 2 classes	source_tags listlengths 1 5 ⌀	source stringclasses 4 values
tar:OQMD_312034	[ "Ru", "Te" ]	[ 52, 52, 52, 52, 44, 44, 44, 44, 44, 44, 44, 44, 44, 44, 44, 44 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 6.312364101409912, "b": 6.312364101409912, "c": 6.312364101409912, "alpha": 90, "beta": 90, "gamma": 90 }	225	TeRu3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_312071	[ "Si", "Tl" ]	[ 81, 81, 81, 81, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 6.722219944000244, "b": 6.722219944000244, "c": 6.722219944000244, "alpha": 90, "beta": 90, "gamma": 90 }	225	TlSi3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_312089	[ "Cu", "Cs" ]	[ 55, 55, 55, 55, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 7.166987895965576, "b": 7.166987895965576, "c": 7.166987895965576, "alpha": 90, "beta": 90, "gamma": 90 }	225	CsCu3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_312103	[ "Zr", "Pb" ]	[ 40, 40, 40, 40, 40, 40, 40, 40, 40, 40, 40, 40, 82, 82, 82, 82 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 7.291324138641357, "b": 7.291324138641357, "c": 7.291324138641357, "alpha": 90, "beta": 90, "gamma": 90 }	225	Zr3Pb	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_312124	[ "Cr", "Pb" ]	[ 24, 24, 24, 24, 82, 82, 82, 82, 82, 82, 82, 82, 82, 82, 82, 82 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 7.305121898651123, "b": 7.305121898651123, "c": 7.305121898651123, "alpha": 90, "beta": 90, "gamma": 90 }	225	CrPb3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_301599	[ "Be", "Nd" ]	[ 60, 60, 60, 60, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 6.2121992111206055, "b": 6.2121992111206055, "c": 6.2121992111206055, "alpha": 90, "beta": 90, "gamma": 90 }	225	NdBe3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_312156	[ "Hg", "Pa" ]	[ 91, 91, 91, 91, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 7.25428581237793, "b": 7.25428581237793, "c": 7.25428581237793, "alpha": 90, "beta": 90, "gamma": 90 }	225	PaHg3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_312173	[ "Sb", "Th" ]	[ 90, 90, 90, 90, 90, 90, 90, 90, 90, 90, 90, 90, 51, 51, 51, 51 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 7.879538059234619, "b": 7.879538059234619, "c": 7.879538059234619, "alpha": 90, "beta": 90, "gamma": 90 }	225	Th3Sb	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_kfEEuSENbhwm91z3d4o52qjuH127	[ "Co", "Hg" ]	[ 27, 27, 27, 27, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 6.807449817657471, "b": 6.807449817657471, "c": 6.807449817657471, "alpha": 90, "beta": 90, "gamma": 90 }	225	CoHg3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_fxkoGvS9D_Ko6XMztMZlfWiLFeeV	[ "Mn", "Zr" ]	[ 40, 40, 40, 40, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 5.993068695068359, "b": 5.993068695068359, "c": 5.993068695068359, "alpha": 90, "beta": 90, "gamma": 90 }	225	ZrMn3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_312225	[ "Cd", "Re" ]	[ 48, 48, 48, 48, 75, 75, 75, 75, 75, 75, 75, 75, 75, 75, 75, 75 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 6.316093921661377, "b": 6.316093921661377, "c": 6.316093921661377, "alpha": 90, "beta": 90, "gamma": 90 }	225	CdRe3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_312239	[ "V", "Os" ]	[ 23, 23, 23, 23, 76, 76, 76, 76, 76, 76, 76, 76, 76, 76, 76, 76 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 6.093743801116943, "b": 6.093743801116943, "c": 6.093743801116943, "alpha": 90, "beta": 90, "gamma": 90 }	225	VOs3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_312272	[ "Si", "Mo" ]	[ 14, 14, 14, 14, 42, 42, 42, 42, 42, 42, 42, 42, 42, 42, 42, 42 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 6.205810070037842, "b": 6.205810070037842, "c": 6.205810070037842, "alpha": 90, "beta": 90, "gamma": 90 }	225	SiMo3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_iURCbXi5VN3Te5i1Jnaya5GQngX8	[ "Si", "Th" ]	[ 90, 90, 90, 90, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 6.8596696853637695, "b": 6.8596696853637695, "c": 6.8596696853637695, "alpha": 90, "beta": 90, "gamma": 90 }	225	ThSi3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_312324	[ "Zr", "Re" ]	[ 40, 40, 40, 40, 75, 75, 75, 75, 75, 75, 75, 75, 75, 75, 75, 75 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 6.368152141571045, "b": 6.368152141571045, "c": 6.368152141571045, "alpha": 90, "beta": 90, "gamma": 90 }	225	ZrRe3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_312338	[ "Eu", "Gd" ]	[ 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 64, 64, 64, 64 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 8.531421661376953, "b": 8.531421661376953, "c": 8.531421661376953, "alpha": 90, "beta": 90, "gamma": 90 }	225	Eu3Gd	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_301821	[ "Se", "Nb" ]	[ 41, 41, 41, 41, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 6.648101806640625, "b": 6.648101806640625, "c": 6.648101806640625, "alpha": 90, "beta": 90, "gamma": 90 }	225	NbSe3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_312380	[ "P", "Pm" ]	[ 61, 61, 61, 61, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 6.7754740715026855, "b": 6.7754740715026855, "c": 6.7754740715026855, "alpha": 90, "beta": 90, "gamma": 90 }	225	PmP3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_312398	[ "Mg", "Co" ]	[ 12, 12, 12, 12, 27, 27, 27, 27, 27, 27, 27, 27, 27, 27, 27, 27 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 5.7675862312316895, "b": 5.7675862312316895, "c": 5.7675862312316895, "alpha": 90, "beta": 90, "gamma": 90 }	225	MgCo3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_312411	[ "Cu", "Yb" ]	[ 70, 70, 70, 70, 70, 70, 70, 70, 70, 70, 70, 70, 29, 29, 29, 29 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 7.612597942352295, "b": 7.612597942352295, "c": 7.612597942352295, "alpha": 90, "beta": 90, "gamma": 90 }	225	Yb3Cu	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_312434	[ "Se", "In" ]	[ 49, 49, 49, 49, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 7.029210090637207, "b": 7.029210090637207, "c": 7.029210090637207, "alpha": 90, "beta": 90, "gamma": 90 }	225	InSe3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_312450	[ "O", "Lu" ]	[ 71, 71, 71, 71, 71, 71, 71, 71, 71, 71, 71, 71, 8, 8, 8, 8 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 7.1457319259643555, "b": 7.1457319259643555, "c": 7.1457319259643555, "alpha": 90, "beta": 90, "gamma": 90 }	225	Lu3O	general_inorganic	false	null	null	null	null	null	[ "oxide" ]	external_cif_tar
tar:OQMD_312463	[ "Ag", "Au" ]	[ 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 79, 79, 79, 79 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 6.585846424102783, "b": 6.585846424102783, "c": 6.585846424102783, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ag3Au	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_312480	[ "C", "Sb" ]	[ 51, 51, 51, 51, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 5.56456184387207, "b": 5.56456184387207, "c": 5.56456184387207, "alpha": 90, "beta": 90, "gamma": 90 }	225	SbC3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_312497	[ "Cl", "Yb" ]	[ 70, 70, 70, 70, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 7.011238098144531, "b": 7.011238098144531, "c": 7.011238098144531, "alpha": 90, "beta": 90, "gamma": 90 }	225	YbCl3	general_inorganic	false	null	null	null	null	null	[ "halide" ]	external_cif_tar
tar:OQMD_312518	[ "Nd", "Ir" ]	[ 60, 60, 60, 60, 77, 77, 77, 77, 77, 77, 77, 77, 77, 77, 77, 77 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 6.568192005157471, "b": 6.568192005157471, "c": 6.568192005157471, "alpha": 90, "beta": 90, "gamma": 90 }	225	NdIr3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_312546	[ "H", "La" ]	[ 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 1, 1, 1, 1 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 7.6167778968811035, "b": 7.6167778968811035, "c": 7.6167778968811035, "alpha": 90, "beta": 90, "gamma": 90 }	225	La3H	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_312565	[ "C", "Pt" ]	[ 78, 78, 78, 78, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 5.28898811340332, "b": 5.28898811340332, "c": 5.28898811340332, "alpha": 90, "beta": 90, "gamma": 90 }	225	PtC3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_312576	[ "Mg", "Cs" ]	[ 55, 55, 55, 55, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 8.246633529663086, "b": 8.246633529663086, "c": 8.246633529663086, "alpha": 90, "beta": 90, "gamma": 90 }	225	CsMg3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_312610	[ "Ca", "In" ]	[ 20, 20, 20, 20, 49, 49, 49, 49, 49, 49, 49, 49, 49, 49, 49, 49 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 7.452544212341309, "b": 7.452544212341309, "c": 7.452544212341309, "alpha": 90, "beta": 90, "gamma": 90 }	225	CaIn3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_312625	[ "Zn", "Lu" ]	[ 71, 71, 71, 71, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 6.441361904144287, "b": 6.441361904144287, "c": 6.441361904144287, "alpha": 90, "beta": 90, "gamma": 90 }	225	LuZn3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_312661	[ "S", "Cs" ]	[ 55, 55, 55, 55, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 7.356210231781006, "b": 7.356210231781006, "c": 7.356210231781006, "alpha": 90, "beta": 90, "gamma": 90 }	225	CsS3	general_inorganic	false	null	null	null	null	null	[ "sulfide" ]	external_cif_tar
tar:OQMD_312692	[ "Y", "Dy" ]	[ 66, 66, 66, 66, 66, 66, 66, 66, 66, 66, 66, 66, 39, 39, 39, 39 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 7.996660232543945, "b": 7.996660232543945, "c": 7.996660232543945, "alpha": 90, "beta": 90, "gamma": 90 }	225	Dy3Y	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_312713	[ "Ca", "Ru" ]	[ 20, 20, 20, 20, 44, 44, 44, 44, 44, 44, 44, 44, 44, 44, 44, 44 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 6.340427875518799, "b": 6.340427875518799, "c": 6.340427875518799, "alpha": 90, "beta": 90, "gamma": 90 }	225	CaRu3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_DBS_fz0p5YdYsd48SfqSJy9JgR_z	[ "La", "Pa" ]	[ 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 91, 91, 91, 91 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 8.084599494934082, "b": 8.084599494934082, "c": 8.084599494934082, "alpha": 90, "beta": 90, "gamma": 90 }	225	La3Pa	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_312746	[ "W", "Au" ]	[ 74, 74, 74, 74, 74, 74, 74, 74, 74, 74, 74, 74, 79, 79, 79, 79 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 6.401899814605713, "b": 6.401899814605713, "c": 6.401899814605713, "alpha": 90, "beta": 90, "gamma": 90 }	225	W3Au	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_312766	[ "Ho", "Pb" ]	[ 67, 67, 67, 67, 82, 82, 82, 82, 82, 82, 82, 82, 82, 82, 82, 82 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 7.660123825073242, "b": 7.660123825073242, "c": 7.660123825073242, "alpha": 90, "beta": 90, "gamma": 90 }	225	HoPb3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_Eg8g5mH4HogxZoEcSEDhXhi0EBE-	[ "O", "Re" ]	[ 75, 75, 75, 75, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 5.0274271965026855, "b": 5.0274271965026855, "c": 5.0274271965026855, "alpha": 90, "beta": 90, "gamma": 90 }	225	ReO3	general_inorganic	false	null	null	null	null	null	[ "oxide" ]	external_cif_tar
tar:OQMD_312799	[ "Rh", "Pm" ]	[ 61, 61, 61, 61, 61, 61, 61, 61, 61, 61, 61, 61, 45, 45, 45, 45 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 7.407336235046387, "b": 7.407336235046387, "c": 7.407336235046387, "alpha": 90, "beta": 90, "gamma": 90 }	225	Pm3Rh	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_312815	[ "Ni", "Pd" ]	[ 28, 28, 28, 28, 28, 28, 28, 28, 28, 28, 28, 28, 46, 46, 46, 46 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 5.780228137969971, "b": 5.780228137969971, "c": 5.780228137969971, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ni3Pd	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_312831	[ "Ag", "Pb" ]	[ 47, 47, 47, 47, 82, 82, 82, 82, 82, 82, 82, 82, 82, 82, 82, 82 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 7.471553802490234, "b": 7.471553802490234, "c": 7.471553802490234, "alpha": 90, "beta": 90, "gamma": 90 }	225	AgPb3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_312848	[ "Ni", "Zn" ]	[ 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 28, 28, 28, 28 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 5.93248176574707, "b": 5.93248176574707, "c": 5.93248176574707, "alpha": 90, "beta": 90, "gamma": 90 }	225	Zn3Ni	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_lef6XmWCGNNqwrNoW1O0yio6F_TR	[ "Al", "Sc" ]	[ 21, 21, 21, 21, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 6.601348400115967, "b": 6.601348400115967, "c": 6.601348400115967, "alpha": 90, "beta": 90, "gamma": 90 }	225	ScAl3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_312876	[ "As", "Sr" ]	[ 38, 38, 38, 38, 33, 33, 33, 33, 33, 33, 33, 33, 33, 33, 33, 33 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 7.238671779632568, "b": 7.238671779632568, "c": 7.238671779632568, "alpha": 90, "beta": 90, "gamma": 90 }	225	SrAs3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_TXmtZLjldE3qvviOjCeAP2rigYO6	[ "Ir", "Ac" ]	[ 89, 89, 89, 89, 89, 89, 89, 89, 89, 89, 89, 89, 77, 77, 77, 77 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 7.921193599700928, "b": 7.921193599700928, "c": 7.921193599700928, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ac3Ir	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_312906	[ "Fe", "La" ]	[ 57, 57, 57, 57, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 6.311493873596191, "b": 6.311493873596191, "c": 6.311493873596191, "alpha": 90, "beta": 90, "gamma": 90 }	225	LaFe3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_312924	[ "In", "Ce" ]	[ 58, 58, 58, 58, 49, 49, 49, 49, 49, 49, 49, 49, 49, 49, 49, 49 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 7.4857258796691895, "b": 7.4857258796691895, "c": 7.4857258796691895, "alpha": 90, "beta": 90, "gamma": 90 }	225	CeIn3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_Quse5w7IkWwfLnI6ZqfHipPreRM-	[ "Ca", "Ir" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 77, 77, 77, 77 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 7.4899001121521, "b": 7.4899001121521, "c": 7.4899001121521, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca3Ir	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_312954	[ "Tc", "Nd" ]	[ 60, 60, 60, 60, 43, 43, 43, 43, 43, 43, 43, 43, 43, 43, 43, 43 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 6.517615795135498, "b": 6.517615795135498, "c": 6.517615795135498, "alpha": 90, "beta": 90, "gamma": 90 }	225	NdTc3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_312968	[ "Mn", "Sr" ]	[ 38, 38, 38, 38, 38, 38, 38, 38, 38, 38, 38, 38, 25, 25, 25, 25 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 8.51898193359375, "b": 8.51898193359375, "c": 8.51898193359375, "alpha": 90, "beta": 90, "gamma": 90 }	225	Sr3Mn	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_312985	[ "Hg", "Np" ]	[ 93, 93, 93, 93, 93, 93, 93, 93, 93, 93, 93, 93, 80, 80, 80, 80 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 6.969689846038818, "b": 6.969689846038818, "c": 6.969689846038818, "alpha": 90, "beta": 90, "gamma": 90 }	225	Np3Hg	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_313008	[ "Ag", "Ba" ]	[ 56, 56, 56, 56, 56, 56, 56, 56, 56, 56, 56, 56, 47, 47, 47, 47 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 8.66510009765625, "b": 8.66510009765625, "c": 8.66510009765625, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ba3Ag	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_313027	[ "Gd", "Au" ]	[ 64, 64, 64, 64, 64, 64, 64, 64, 64, 64, 64, 64, 79, 79, 79, 79 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 7.484523773193359, "b": 7.484523773193359, "c": 7.484523773193359, "alpha": 90, "beta": 90, "gamma": 90 }	225	Gd3Au	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_313043	[ "Ru", "Rh" ]	[ 44, 44, 44, 44, 45, 45, 45, 45, 45, 45, 45, 45, 45, 45, 45, 45 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 6.080597877502441, "b": 6.080597877502441, "c": 6.080597877502441, "alpha": 90, "beta": 90, "gamma": 90 }	225	RuRh3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_313062	[ "Ge", "Ce" ]	[ 58, 58, 58, 58, 58, 58, 58, 58, 58, 58, 58, 58, 32, 32, 32, 32 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 7.838458061218262, "b": 7.838458061218262, "c": 7.838458061218262, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ce3Ge	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_313074	[ "Br", "La" ]	[ 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 35, 35, 35, 35 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 8.06415843963623, "b": 8.06415843963623, "c": 8.06415843963623, "alpha": 90, "beta": 90, "gamma": 90 }	225	La3Br	general_inorganic	false	null	null	null	null	null	[ "halide" ]	external_cif_tar
tar:OQMD_313089	[ "Cd", "Nd" ]	[ 60, 60, 60, 60, 60, 60, 60, 60, 60, 60, 60, 60, 48, 48, 48, 48 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 7.837997913360596, "b": 7.837997913360596, "c": 7.837997913360596, "alpha": 90, "beta": 90, "gamma": 90 }	225	Nd3Cd	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_313105	[ "Li", "C" ]	[ 3, 3, 3, 3, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 4.923304080963135, "b": 4.923304080963135, "c": 4.923304080963135, "alpha": 90, "beta": 90, "gamma": 90 }	225	LiC3	general_inorganic	true	4	null	null	null	null	[ "li" ]	external_cif_tar
tar:OQMD_313120	[ "Ho", "W" ]	[ 67, 67, 67, 67, 74, 74, 74, 74, 74, 74, 74, 74, 74, 74, 74, 74 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 6.584164142608643, "b": 6.584164142608643, "c": 6.584164142608643, "alpha": 90, "beta": 90, "gamma": 90 }	225	HoW3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_313138	[ "Be", "P" ]	[ 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 15, 15, 15, 15 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 5.382236003875732, "b": 5.382236003875732, "c": 5.382236003875732, "alpha": 90, "beta": 90, "gamma": 90 }	225	Be3P	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_313151	[ "Mn", "Ta" ]	[ 73, 73, 73, 73, 73, 73, 73, 73, 73, 73, 73, 73, 25, 25, 25, 25 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 6.376259803771973, "b": 6.376259803771973, "c": 6.376259803771973, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ta3Mn	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_313165	[ "Sr", "Sn" ]	[ 38, 38, 38, 38, 38, 38, 38, 38, 38, 38, 38, 38, 50, 50, 50, 50 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 8.493898391723633, "b": 8.493898391723633, "c": 8.493898391723633, "alpha": 90, "beta": 90, "gamma": 90 }	225	Sr3Sn	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_313177	[ "Dy", "Tm" ]	[ 66, 66, 66, 66, 69, 69, 69, 69, 69, 69, 69, 69, 69, 69, 69, 69 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 7.871861934661865, "b": 7.871861934661865, "c": 7.871861934661865, "alpha": 90, "beta": 90, "gamma": 90 }	225	DyTm3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_vNUal8yS92W0cKgNuDsphsW875uR	[ "As", "La" ]	[ 57, 57, 57, 57, 33, 33, 33, 33, 33, 33, 33, 33, 33, 33, 33, 33 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 7.17870569229126, "b": 7.17870569229126, "c": 7.17870569229126, "alpha": 90, "beta": 90, "gamma": 90 }	225	LaAs3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_313203	[ "La", "Pr" ]	[ 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 59, 59, 59, 59 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 8.404760360717773, "b": 8.404760360717773, "c": 8.404760360717773, "alpha": 90, "beta": 90, "gamma": 90 }	225	La3Pr	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_313218	[ "Ga", "Er" ]	[ 68, 68, 68, 68, 68, 68, 68, 68, 68, 68, 68, 68, 31, 31, 31, 31 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 7.431650161743164, "b": 7.431650161743164, "c": 7.431650161743164, "alpha": 90, "beta": 90, "gamma": 90 }	225	Er3Ga	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_313249	[ "Te", "Tb" ]	[ 65, 65, 65, 65, 65, 65, 65, 65, 65, 65, 65, 65, 52, 52, 52, 52 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 7.702117919921875, "b": 7.702117919921875, "c": 7.702117919921875, "alpha": 90, "beta": 90, "gamma": 90 }	225	Tb3Te	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_313262	[ "In", "Bi" ]	[ 49, 49, 49, 49, 49, 49, 49, 49, 49, 49, 49, 49, 83, 83, 83, 83 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 7.493556022644043, "b": 7.493556022644043, "c": 7.493556022644043, "alpha": 90, "beta": 90, "gamma": 90 }	225	In3Bi	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_313274	[ "N", "Pm" ]	[ 61, 61, 61, 61, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 5.673309803009033, "b": 5.673309803009033, "c": 5.673309803009033, "alpha": 90, "beta": 90, "gamma": 90 }	225	PmN3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_313286	[ "Ce", "Tb" ]	[ 65, 65, 65, 65, 58, 58, 58, 58, 58, 58, 58, 58, 58, 58, 58, 58 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 8.316295623779297, "b": 8.316295623779297, "c": 8.316295623779297, "alpha": 90, "beta": 90, "gamma": 90 }	225	TbCe3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_313325	[ "P", "Pr" ]	[ 59, 59, 59, 59, 59, 59, 59, 59, 59, 59, 59, 59, 15, 15, 15, 15 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 7.607970237731934, "b": 7.607970237731934, "c": 7.607970237731934, "alpha": 90, "beta": 90, "gamma": 90 }	225	Pr3P	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_313339	[ "Ag", "Cs" ]	[ 55, 55, 55, 55, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 7.657725811004639, "b": 7.657725811004639, "c": 7.657725811004639, "alpha": 90, "beta": 90, "gamma": 90 }	225	CsAg3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_Q5Og1GY3Fg-1S-D7qZz8Hz7rPzXG	[ "Cd", "Sb" ]	[ 48, 48, 48, 48, 51, 51, 51, 51, 51, 51, 51, 51, 51, 51, 51, 51 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 7.475358963012695, "b": 7.475358963012695, "c": 7.475358963012695, "alpha": 90, "beta": 90, "gamma": 90 }	225	CdSb3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_313373	[ "As", "Ba" ]	[ 56, 56, 56, 56, 33, 33, 33, 33, 33, 33, 33, 33, 33, 33, 33, 33 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 7.440807819366455, "b": 7.440807819366455, "c": 7.440807819366455, "alpha": 90, "beta": 90, "gamma": 90 }	225	BaAs3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_8j88oDoN4cQu2yYeiAio5OQbTYNi	[ "Co", "Zr" ]	[ 40, 40, 40, 40, 40, 40, 40, 40, 40, 40, 40, 40, 27, 27, 27, 27 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 6.6993560791015625, "b": 6.6993560791015625, "c": 6.6993560791015625, "alpha": 90, "beta": 90, "gamma": 90 }	225	Zr3Co	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_313404	[ "Cd", "Gd" ]	[ 64, 64, 64, 64, 64, 64, 64, 64, 64, 64, 64, 64, 48, 48, 48, 48 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 7.6767377853393555, "b": 7.6767377853393555, "c": 7.6767377853393555, "alpha": 90, "beta": 90, "gamma": 90 }	225	Gd3Cd	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_313426	[ "Ru", "Ac" ]	[ 89, 89, 89, 89, 44, 44, 44, 44, 44, 44, 44, 44, 44, 44, 44, 44 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 6.645688056945801, "b": 6.645688056945801, "c": 6.645688056945801, "alpha": 90, "beta": 90, "gamma": 90 }	225	AcRu3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_313437	[ "B", "Th" ]	[ 90, 90, 90, 90, 90, 90, 90, 90, 90, 90, 90, 90, 5, 5, 5, 5 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 7.4361701011657715, "b": 7.4361701011657715, "c": 7.4361701011657715, "alpha": 90, "beta": 90, "gamma": 90 }	225	Th3B	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_313466	[ "P", "Ru" ]	[ 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 44, 44, 44, 44 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 6.012403964996338, "b": 6.012403964996338, "c": 6.012403964996338, "alpha": 90, "beta": 90, "gamma": 90 }	225	P3Ru	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_313482	[ "Si", "Rb" ]	[ 37, 37, 37, 37, 37, 37, 37, 37, 37, 37, 37, 37, 14, 14, 14, 14 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 8.919659614562988, "b": 8.919659614562988, "c": 8.919659614562988, "alpha": 90, "beta": 90, "gamma": 90 }	225	Rb3Si	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_313492	[ "Sc", "Tc" ]	[ 21, 21, 21, 21, 21, 21, 21, 21, 21, 21, 21, 21, 43, 43, 43, 43 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 6.725883960723877, "b": 6.725883960723877, "c": 6.725883960723877, "alpha": 90, "beta": 90, "gamma": 90 }	225	Sc3Tc	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_313504	[ "H", "Fe" ]	[ 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 1, 1, 1, 1 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 5.429096221923828, "b": 5.429096221923828, "c": 5.429096221923828, "alpha": 90, "beta": 90, "gamma": 90 }	225	Fe3H	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_313515	[ "Ag", "Te" ]	[ 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 52, 52, 52, 52 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 6.783909797668457, "b": 6.783909797668457, "c": 6.783909797668457, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ag3Te	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_302990	[ "Se", "W" ]	[ 74, 74, 74, 74, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 6.5324530601501465, "b": 6.5324530601501465, "c": 6.5324530601501465, "alpha": 90, "beta": 90, "gamma": 90 }	225	WSe3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_313543	[ "Mo", "I" ]	[ 42, 42, 42, 42, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 7.815127849578857, "b": 7.815127849578857, "c": 7.815127849578857, "alpha": 90, "beta": 90, "gamma": 90 }	225	MoI3	general_inorganic	false	null	null	null	null	null	[ "halide" ]	external_cif_tar
tar:OQMD_313559	[ "Li", "Gd" ]	[ 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 64, 64, 64, 64 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 6.987175941467285, "b": 6.987175941467285, "c": 6.987175941467285, "alpha": 90, "beta": 90, "gamma": 90 }	225	Li3Gd	general_inorganic	true	12	null	null	null	null	[ "li" ]	external_cif_tar
tar:OQMD_313572	[ "Re", "Tl" ]	[ 81, 81, 81, 81, 75, 75, 75, 75, 75, 75, 75, 75, 75, 75, 75, 75 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 6.399032115936279, "b": 6.399032115936279, "c": 6.399032115936279, "alpha": 90, "beta": 90, "gamma": 90 }	225	TlRe3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_313591	[ "Li", "Ce" ]	[ 3, 3, 3, 3, 58, 58, 58, 58, 58, 58, 58, 58, 58, 58, 58, 58 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 8.072093963623047, "b": 8.072093963623047, "c": 8.072093963623047, "alpha": 90, "beta": 90, "gamma": 90 }	225	LiCe3	general_inorganic	true	4	null	null	null	null	[ "li" ]	external_cif_tar
tar:OQMD_313609	[ "Sc", "Nb" ]	[ 21, 21, 21, 21, 21, 21, 21, 21, 21, 21, 21, 21, 41, 41, 41, 41 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 6.911205768585205, "b": 6.911205768585205, "c": 6.911205768585205, "alpha": 90, "beta": 90, "gamma": 90 }	225	Sc3Nb	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_313640	[ "Pr", "Tb" ]	[ 65, 65, 65, 65, 59, 59, 59, 59, 59, 59, 59, 59, 59, 59, 59, 59 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 8.252304077148438, "b": 8.252304077148438, "c": 8.252304077148438, "alpha": 90, "beta": 90, "gamma": 90 }	225	TbPr3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_313655	[ "F", "Tc" ]	[ 43, 43, 43, 43, 43, 43, 43, 43, 43, 43, 43, 43, 9, 9, 9, 9 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 5.9970879554748535, "b": 5.9970879554748535, "c": 5.9970879554748535, "alpha": 90, "beta": 90, "gamma": 90 }	225	Tc3F	general_inorganic	false	null	null	null	null	null	[ "halide" ]	external_cif_tar
tar:OQMD_313671	[ "Tc", "Hf" ]	[ 72, 72, 72, 72, 43, 43, 43, 43, 43, 43, 43, 43, 43, 43, 43, 43 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 6.306456089019775, "b": 6.306456089019775, "c": 6.306456089019775, "alpha": 90, "beta": 90, "gamma": 90 }	225	HfTc3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_313684	[ "Be", "Er" ]	[ 68, 68, 68, 68, 68, 68, 68, 68, 68, 68, 68, 68, 4, 4, 4, 4 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 7.331078052520752, "b": 7.331078052520752, "c": 7.331078052520752, "alpha": 90, "beta": 90, "gamma": 90 }	225	Er3Be	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_313699	[ "Sr", "Pd" ]	[ 38, 38, 38, 38, 46, 46, 46, 46, 46, 46, 46, 46, 46, 46, 46, 46 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 6.708322048187256, "b": 6.708322048187256, "c": 6.708322048187256, "alpha": 90, "beta": 90, "gamma": 90 }	225	SrPd3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_313714	[ "N", "Hg" ]	[ 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 7, 7, 7, 7 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 6.776001930236816, "b": 6.776001930236816, "c": 6.776001930236816, "alpha": 90, "beta": 90, "gamma": 90 }	225	Hg3N	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_313730	[ "Na", "Pa" ]	[ 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 91, 91, 91, 91 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 7.77918004989624, "b": 7.77918004989624, "c": 7.77918004989624, "alpha": 90, "beta": 90, "gamma": 90 }	225	Na3Pa	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_313746	[ "Pm", "Ac" ]	[ 89, 89, 89, 89, 61, 61, 61, 61, 61, 61, 61, 61, 61, 61, 61, 61 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 8.369649887084961, "b": 8.369649887084961, "c": 8.369649887084961, "alpha": 90, "beta": 90, "gamma": 90 }	225	AcPm3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_313763	[ "Se", "Ho" ]	[ 67, 67, 67, 67, 67, 67, 67, 67, 67, 67, 67, 67, 34, 34, 34, 34 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 7.527182102203369, "b": 7.527182102203369, "c": 7.527182102203369, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ho3Se	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_313783	[ "Pb", "Th" ]	[ 90, 90, 90, 90, 82, 82, 82, 82, 82, 82, 82, 82, 82, 82, 82, 82 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ ...	{ "a": 7.835544109344482, "b": 7.835544109344482, "c": 7.835544109344482, "alpha": 90, "beta": 90, "gamma": 90 }	225	ThPb3	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_C3b04pUuFGHKcXl3AjRWZ1C9iQZb	[ "Ti", "Th" ]	[ 90, 90, 90, 90, 90, 90, 90, 90, 90, 90, 90, 90, 22, 22, 22, 22 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ...	{ "a": 7.668249130249023, "b": 7.668249130249023, "c": 7.668249130249023, "alpha": 90, "beta": 90, "gamma": 90 }	225	Th3Ti	general_inorganic	false	null	null	null	null	null	null	external_cif_tar

tar:OQMD_312034

[ "Ru", "Te" ]

[ 52, 52, 52, 52, 44, 44, 44, 44, 44, 44, 44, 44, 44, 44, 44, 44 ]

16

2

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

{ "a": 6.312364101409912, "b": 6.312364101409912, "c": 6.312364101409912, "alpha": 90, "beta": 90, "gamma": 90 }

225

TeRu3

general_inorganic

false

null

external_cif_tar

tar:OQMD_312071

[ "Si", "Tl" ]

[ 81, 81, 81, 81, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14 ]

16

2

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

{ "a": 6.722219944000244, "b": 6.722219944000244, "c": 6.722219944000244, "alpha": 90, "beta": 90, "gamma": 90 }

225

TlSi3

general_inorganic

false

null

external_cif_tar

tar:OQMD_312089

[ "Cu", "Cs" ]

[ 55, 55, 55, 55, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29 ]

16

2

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

{ "a": 7.166987895965576, "b": 7.166987895965576, "c": 7.166987895965576, "alpha": 90, "beta": 90, "gamma": 90 }

225

CsCu3

general_inorganic

false

null

external_cif_tar

tar:OQMD_312103

[ "Zr", "Pb" ]

[ 40, 40, 40, 40, 40, 40, 40, 40, 40, 40, 40, 40, 82, 82, 82, 82 ]

16

2

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

{ "a": 7.291324138641357, "b": 7.291324138641357, "c": 7.291324138641357, "alpha": 90, "beta": 90, "gamma": 90 }

225

Zr3Pb

general_inorganic

false

null

external_cif_tar

tar:OQMD_312124

[ "Cr", "Pb" ]

[ 24, 24, 24, 24, 82, 82, 82, 82, 82, 82, 82, 82, 82, 82, 82, 82 ]

16

2

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

{ "a": 7.305121898651123, "b": 7.305121898651123, "c": 7.305121898651123, "alpha": 90, "beta": 90, "gamma": 90 }

225

CrPb3

general_inorganic

false

null

external_cif_tar

tar:OQMD_301599

[ "Be", "Nd" ]

[ 60, 60, 60, 60, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4 ]

16

2

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

{ "a": 6.2121992111206055, "b": 6.2121992111206055, "c": 6.2121992111206055, "alpha": 90, "beta": 90, "gamma": 90 }

225

NdBe3

general_inorganic

false

null

external_cif_tar

tar:OQMD_312156

[ "Hg", "Pa" ]

[ 91, 91, 91, 91, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80 ]

16

2

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

{ "a": 7.25428581237793, "b": 7.25428581237793, "c": 7.25428581237793, "alpha": 90, "beta": 90, "gamma": 90 }

225

PaHg3

general_inorganic

false

null

external_cif_tar

tar:OQMD_312173

[ "Sb", "Th" ]

[ 90, 90, 90, 90, 90, 90, 90, 90, 90, 90, 90, 90, 51, 51, 51, 51 ]

16

2

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

{ "a": 7.879538059234619, "b": 7.879538059234619, "c": 7.879538059234619, "alpha": 90, "beta": 90, "gamma": 90 }

225

Th3Sb

general_inorganic

false

null

external_cif_tar

tar:NOMAD_kfEEuSENbhwm91z3d4o52qjuH127

[ "Co", "Hg" ]

[ 27, 27, 27, 27, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80 ]

16

2

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

{ "a": 6.807449817657471, "b": 6.807449817657471, "c": 6.807449817657471, "alpha": 90, "beta": 90, "gamma": 90 }

225

CoHg3

general_inorganic

false

null

external_cif_tar

tar:NOMAD_fxkoGvS9D_Ko6XMztMZlfWiLFeeV

[ "Mn", "Zr" ]

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

16

2

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

{ "a": 5.993068695068359, "b": 5.993068695068359, "c": 5.993068695068359, "alpha": 90, "beta": 90, "gamma": 90 }

225

ZrMn3

general_inorganic

false

null

external_cif_tar

tar:OQMD_312225

[ "Cd", "Re" ]

[ 48, 48, 48, 48, 75, 75, 75, 75, 75, 75, 75, 75, 75, 75, 75, 75 ]

16

2

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

{ "a": 6.316093921661377, "b": 6.316093921661377, "c": 6.316093921661377, "alpha": 90, "beta": 90, "gamma": 90 }

225

CdRe3

general_inorganic

false

null

external_cif_tar

tar:OQMD_312239

[ "V", "Os" ]

[ 23, 23, 23, 23, 76, 76, 76, 76, 76, 76, 76, 76, 76, 76, 76, 76 ]

16

2

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

{ "a": 6.093743801116943, "b": 6.093743801116943, "c": 6.093743801116943, "alpha": 90, "beta": 90, "gamma": 90 }

225

VOs3

general_inorganic

false

null

external_cif_tar

tar:OQMD_312272

[ "Si", "Mo" ]

[ 14, 14, 14, 14, 42, 42, 42, 42, 42, 42, 42, 42, 42, 42, 42, 42 ]

16

2

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

{ "a": 6.205810070037842, "b": 6.205810070037842, "c": 6.205810070037842, "alpha": 90, "beta": 90, "gamma": 90 }

225

SiMo3

general_inorganic

false

null

external_cif_tar

tar:NOMAD_iURCbXi5VN3Te5i1Jnaya5GQngX8

[ "Si", "Th" ]

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

16

2

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

{ "a": 6.8596696853637695, "b": 6.8596696853637695, "c": 6.8596696853637695, "alpha": 90, "beta": 90, "gamma": 90 }

225

ThSi3

general_inorganic

false

null

external_cif_tar

tar:OQMD_312324

[ "Zr", "Re" ]

[ 40, 40, 40, 40, 75, 75, 75, 75, 75, 75, 75, 75, 75, 75, 75, 75 ]

16

2

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

{ "a": 6.368152141571045, "b": 6.368152141571045, "c": 6.368152141571045, "alpha": 90, "beta": 90, "gamma": 90 }

225

ZrRe3

general_inorganic

false

null

external_cif_tar

tar:OQMD_312338

[ "Eu", "Gd" ]

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

16

2

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

{ "a": 8.531421661376953, "b": 8.531421661376953, "c": 8.531421661376953, "alpha": 90, "beta": 90, "gamma": 90 }

225

Eu3Gd

general_inorganic

false

null

external_cif_tar

tar:OQMD_301821

[ "Se", "Nb" ]

[ 41, 41, 41, 41, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34 ]

16

2

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

{ "a": 6.648101806640625, "b": 6.648101806640625, "c": 6.648101806640625, "alpha": 90, "beta": 90, "gamma": 90 }

225

NbSe3

general_inorganic

false

null

external_cif_tar

tar:OQMD_312380

[ "P", "Pm" ]

[ 61, 61, 61, 61, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15 ]

16

2

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

{ "a": 6.7754740715026855, "b": 6.7754740715026855, "c": 6.7754740715026855, "alpha": 90, "beta": 90, "gamma": 90 }

225

PmP3

general_inorganic

false

null

external_cif_tar

tar:OQMD_312398

[ "Mg", "Co" ]

[ 12, 12, 12, 12, 27, 27, 27, 27, 27, 27, 27, 27, 27, 27, 27, 27 ]

16

2

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

{ "a": 5.7675862312316895, "b": 5.7675862312316895, "c": 5.7675862312316895, "alpha": 90, "beta": 90, "gamma": 90 }

225

MgCo3

general_inorganic

false

null

external_cif_tar

tar:OQMD_312411

[ "Cu", "Yb" ]

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

16

2

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

{ "a": 7.612597942352295, "b": 7.612597942352295, "c": 7.612597942352295, "alpha": 90, "beta": 90, "gamma": 90 }

225

Yb3Cu

general_inorganic

false

null

external_cif_tar

tar:OQMD_312434

[ "Se", "In" ]

[ 49, 49, 49, 49, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34 ]

16

2

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

{ "a": 7.029210090637207, "b": 7.029210090637207, "c": 7.029210090637207, "alpha": 90, "beta": 90, "gamma": 90 }

225

InSe3

general_inorganic

false

null

external_cif_tar

tar:OQMD_312450

[ "O", "Lu" ]

[ 71, 71, 71, 71, 71, 71, 71, 71, 71, 71, 71, 71, 8, 8, 8, 8 ]

16

2

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225

Lu3O

general_inorganic

false

null

[ "oxide" ]

external_cif_tar

tar:OQMD_312463

[ "Ag", "Au" ]

[ 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 79, 79, 79, 79 ]

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225

Ag3Au

general_inorganic

false

null

external_cif_tar

tar:OQMD_312480

[ "C", "Sb" ]

[ 51, 51, 51, 51, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]

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225

SbC3

general_inorganic

false

null

external_cif_tar

tar:OQMD_312497

[ "Cl", "Yb" ]

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

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225

YbCl3

general_inorganic

false

null

[ "halide" ]

external_cif_tar

tar:OQMD_312518

[ "Nd", "Ir" ]

[ 60, 60, 60, 60, 77, 77, 77, 77, 77, 77, 77, 77, 77, 77, 77, 77 ]

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225

NdIr3

general_inorganic

false

null

external_cif_tar

tar:OQMD_312546

[ "H", "La" ]

[ 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 1, 1, 1, 1 ]

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225

La3H

general_inorganic

false

null

external_cif_tar

tar:OQMD_312565

[ "C", "Pt" ]

[ 78, 78, 78, 78, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]

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225

PtC3

general_inorganic

false

null

external_cif_tar

tar:OQMD_312576

[ "Mg", "Cs" ]

[ 55, 55, 55, 55, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12 ]

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225

CsMg3

general_inorganic

false

null

external_cif_tar

tar:OQMD_312610

[ "Ca", "In" ]

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

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225

CaIn3

general_inorganic

false

null

external_cif_tar

tar:OQMD_312625

[ "Zn", "Lu" ]

[ 71, 71, 71, 71, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30 ]

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225

LuZn3

general_inorganic

false

null

external_cif_tar

tar:OQMD_312661

[ "S", "Cs" ]

[ 55, 55, 55, 55, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16 ]

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225

CsS3

general_inorganic

false

null

[ "sulfide" ]

external_cif_tar

tar:OQMD_312692

[ "Y", "Dy" ]

[ 66, 66, 66, 66, 66, 66, 66, 66, 66, 66, 66, 66, 39, 39, 39, 39 ]

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225

Dy3Y

general_inorganic

false

null

external_cif_tar

tar:OQMD_312713

[ "Ca", "Ru" ]

[ 20, 20, 20, 20, 44, 44, 44, 44, 44, 44, 44, 44, 44, 44, 44, 44 ]

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225

CaRu3

general_inorganic

false

null

external_cif_tar

tar:NOMAD_DBS_fz0p5YdYsd48SfqSJy9JgR_z

[ "La", "Pa" ]

[ 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 91, 91, 91, 91 ]

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2

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225

La3Pa

general_inorganic

false

null

external_cif_tar

tar:OQMD_312746

[ "W", "Au" ]

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

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225

W3Au

general_inorganic

false

null

external_cif_tar

tar:OQMD_312766

[ "Ho", "Pb" ]

[ 67, 67, 67, 67, 82, 82, 82, 82, 82, 82, 82, 82, 82, 82, 82, 82 ]

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225

HoPb3

general_inorganic

false

null

external_cif_tar

tar:NOMAD_Eg8g5mH4HogxZoEcSEDhXhi0EBE-

[ "O", "Re" ]

[ 75, 75, 75, 75, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]

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2

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225

ReO3

general_inorganic

false

null

[ "oxide" ]

external_cif_tar

tar:OQMD_312799

[ "Rh", "Pm" ]

[ 61, 61, 61, 61, 61, 61, 61, 61, 61, 61, 61, 61, 45, 45, 45, 45 ]

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2

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225

Pm3Rh

general_inorganic

false

null

external_cif_tar

tar:OQMD_312815

[ "Ni", "Pd" ]

[ 28, 28, 28, 28, 28, 28, 28, 28, 28, 28, 28, 28, 46, 46, 46, 46 ]

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225

Ni3Pd

general_inorganic

false

null

external_cif_tar

tar:OQMD_312831

[ "Ag", "Pb" ]

[ 47, 47, 47, 47, 82, 82, 82, 82, 82, 82, 82, 82, 82, 82, 82, 82 ]

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225

AgPb3

general_inorganic

false

null

external_cif_tar

tar:OQMD_312848

[ "Ni", "Zn" ]

[ 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 28, 28, 28, 28 ]

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225

Zn3Ni

general_inorganic

false

null

external_cif_tar

tar:NOMAD_lef6XmWCGNNqwrNoW1O0yio6F_TR

[ "Al", "Sc" ]

[ 21, 21, 21, 21, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13 ]

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225

ScAl3

general_inorganic

false

null

external_cif_tar

tar:OQMD_312876

[ "As", "Sr" ]

[ 38, 38, 38, 38, 33, 33, 33, 33, 33, 33, 33, 33, 33, 33, 33, 33 ]

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225

SrAs3

general_inorganic

false

null

external_cif_tar

tar:NOMAD_TXmtZLjldE3qvviOjCeAP2rigYO6

[ "Ir", "Ac" ]

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

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225

Ac3Ir

general_inorganic

false

null

external_cif_tar

tar:OQMD_312906

[ "Fe", "La" ]

[ 57, 57, 57, 57, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26 ]

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225

LaFe3

general_inorganic

false

null

external_cif_tar

tar:OQMD_312924

[ "In", "Ce" ]

[ 58, 58, 58, 58, 49, 49, 49, 49, 49, 49, 49, 49, 49, 49, 49, 49 ]

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225

CeIn3

general_inorganic

false

null

external_cif_tar

tar:NOMAD_Quse5w7IkWwfLnI6ZqfHipPreRM-

[ "Ca", "Ir" ]

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

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225

Ca3Ir

general_inorganic

false

null

external_cif_tar

tar:OQMD_312954

[ "Tc", "Nd" ]

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

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225

NdTc3

general_inorganic

false

null

external_cif_tar

tar:OQMD_312968

[ "Mn", "Sr" ]

[ 38, 38, 38, 38, 38, 38, 38, 38, 38, 38, 38, 38, 25, 25, 25, 25 ]

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225

Sr3Mn

general_inorganic

false

null

external_cif_tar

tar:OQMD_312985

[ "Hg", "Np" ]

[ 93, 93, 93, 93, 93, 93, 93, 93, 93, 93, 93, 93, 80, 80, 80, 80 ]

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225

Np3Hg

general_inorganic

false

null

external_cif_tar

tar:OQMD_313008

[ "Ag", "Ba" ]

[ 56, 56, 56, 56, 56, 56, 56, 56, 56, 56, 56, 56, 47, 47, 47, 47 ]

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225

Ba3Ag

general_inorganic

false

null

external_cif_tar

tar:OQMD_313027

[ "Gd", "Au" ]

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

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225

Gd3Au

general_inorganic

false

null

external_cif_tar

tar:OQMD_313043

[ "Ru", "Rh" ]

[ 44, 44, 44, 44, 45, 45, 45, 45, 45, 45, 45, 45, 45, 45, 45, 45 ]

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2

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225

RuRh3

general_inorganic

false

null

external_cif_tar

tar:OQMD_313062

[ "Ge", "Ce" ]

[ 58, 58, 58, 58, 58, 58, 58, 58, 58, 58, 58, 58, 32, 32, 32, 32 ]

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225

Ce3Ge

general_inorganic

false

null

external_cif_tar

tar:OQMD_313074

[ "Br", "La" ]

[ 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 35, 35, 35, 35 ]

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2

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225

La3Br

general_inorganic

false

null

[ "halide" ]

external_cif_tar

tar:OQMD_313089

[ "Cd", "Nd" ]

[ 60, 60, 60, 60, 60, 60, 60, 60, 60, 60, 60, 60, 48, 48, 48, 48 ]

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2

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225

Nd3Cd

general_inorganic

false

null

external_cif_tar

tar:OQMD_313105

[ "Li", "C" ]

[ 3, 3, 3, 3, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]

16

2

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225

LiC3

general_inorganic

true

4

null

[ "li" ]

external_cif_tar

tar:OQMD_313120

[ "Ho", "W" ]

[ 67, 67, 67, 67, 74, 74, 74, 74, 74, 74, 74, 74, 74, 74, 74, 74 ]

16

2

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225

HoW3

general_inorganic

false

null

external_cif_tar

tar:OQMD_313138

[ "Be", "P" ]

[ 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 15, 15, 15, 15 ]

16

2

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{ "a": 5.382236003875732, "b": 5.382236003875732, "c": 5.382236003875732, "alpha": 90, "beta": 90, "gamma": 90 }

225

Be3P

general_inorganic

false

null

external_cif_tar

tar:OQMD_313151

[ "Mn", "Ta" ]

[ 73, 73, 73, 73, 73, 73, 73, 73, 73, 73, 73, 73, 25, 25, 25, 25 ]

16

2

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{ "a": 6.376259803771973, "b": 6.376259803771973, "c": 6.376259803771973, "alpha": 90, "beta": 90, "gamma": 90 }

225

Ta3Mn

general_inorganic

false

null

external_cif_tar

tar:OQMD_313165

[ "Sr", "Sn" ]

[ 38, 38, 38, 38, 38, 38, 38, 38, 38, 38, 38, 38, 50, 50, 50, 50 ]

16

2

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{ "a": 8.493898391723633, "b": 8.493898391723633, "c": 8.493898391723633, "alpha": 90, "beta": 90, "gamma": 90 }

225

Sr3Sn

general_inorganic

false

null

external_cif_tar

tar:OQMD_313177

[ "Dy", "Tm" ]

[ 66, 66, 66, 66, 69, 69, 69, 69, 69, 69, 69, 69, 69, 69, 69, 69 ]

16

2

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{ "a": 7.871861934661865, "b": 7.871861934661865, "c": 7.871861934661865, "alpha": 90, "beta": 90, "gamma": 90 }

225

DyTm3

general_inorganic

false

null

external_cif_tar

tar:NOMAD_vNUal8yS92W0cKgNuDsphsW875uR

[ "As", "La" ]

[ 57, 57, 57, 57, 33, 33, 33, 33, 33, 33, 33, 33, 33, 33, 33, 33 ]

16

2

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{ "a": 7.17870569229126, "b": 7.17870569229126, "c": 7.17870569229126, "alpha": 90, "beta": 90, "gamma": 90 }

225

LaAs3

general_inorganic

false

null

external_cif_tar

tar:OQMD_313203

[ "La", "Pr" ]

[ 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 57, 59, 59, 59, 59 ]

16

2

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{ "a": 8.404760360717773, "b": 8.404760360717773, "c": 8.404760360717773, "alpha": 90, "beta": 90, "gamma": 90 }

225

La3Pr

general_inorganic

false

null

external_cif_tar

tar:OQMD_313218

[ "Ga", "Er" ]

[ 68, 68, 68, 68, 68, 68, 68, 68, 68, 68, 68, 68, 31, 31, 31, 31 ]

16

2

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{ "a": 7.431650161743164, "b": 7.431650161743164, "c": 7.431650161743164, "alpha": 90, "beta": 90, "gamma": 90 }

225

Er3Ga

general_inorganic

false

null

external_cif_tar

tar:OQMD_313249

[ "Te", "Tb" ]

[ 65, 65, 65, 65, 65, 65, 65, 65, 65, 65, 65, 65, 52, 52, 52, 52 ]

16

2

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{ "a": 7.702117919921875, "b": 7.702117919921875, "c": 7.702117919921875, "alpha": 90, "beta": 90, "gamma": 90 }

225

Tb3Te

general_inorganic

false

null

external_cif_tar

tar:OQMD_313262

[ "In", "Bi" ]

[ 49, 49, 49, 49, 49, 49, 49, 49, 49, 49, 49, 49, 83, 83, 83, 83 ]

16

2

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225

In3Bi

general_inorganic

false

null

external_cif_tar

tar:OQMD_313274

[ "N", "Pm" ]

[ 61, 61, 61, 61, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7 ]

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2

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225

PmN3

general_inorganic

false

null

external_cif_tar

tar:OQMD_313286

[ "Ce", "Tb" ]

[ 65, 65, 65, 65, 58, 58, 58, 58, 58, 58, 58, 58, 58, 58, 58, 58 ]

16

2

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225

TbCe3

general_inorganic

false

null

external_cif_tar

tar:OQMD_313325

[ "P", "Pr" ]

[ 59, 59, 59, 59, 59, 59, 59, 59, 59, 59, 59, 59, 15, 15, 15, 15 ]

16

2

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225

Pr3P

general_inorganic

false

null

external_cif_tar

tar:OQMD_313339

[ "Ag", "Cs" ]

[ 55, 55, 55, 55, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47 ]

16

2

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225

CsAg3

general_inorganic

false

null

external_cif_tar

tar:NOMAD_Q5Og1GY3Fg-1S-D7qZz8Hz7rPzXG

[ "Cd", "Sb" ]

[ 48, 48, 48, 48, 51, 51, 51, 51, 51, 51, 51, 51, 51, 51, 51, 51 ]

16

2

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{ "a": 7.475358963012695, "b": 7.475358963012695, "c": 7.475358963012695, "alpha": 90, "beta": 90, "gamma": 90 }

225

CdSb3

general_inorganic

false

null

external_cif_tar

tar:OQMD_313373

[ "As", "Ba" ]

[ 56, 56, 56, 56, 33, 33, 33, 33, 33, 33, 33, 33, 33, 33, 33, 33 ]

16

2

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{ "a": 7.440807819366455, "b": 7.440807819366455, "c": 7.440807819366455, "alpha": 90, "beta": 90, "gamma": 90 }

225

BaAs3

general_inorganic

false

null

external_cif_tar

tar:NOMAD_8j88oDoN4cQu2yYeiAio5OQbTYNi

[ "Co", "Zr" ]

[ 40, 40, 40, 40, 40, 40, 40, 40, 40, 40, 40, 40, 27, 27, 27, 27 ]

16

2

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225

Zr3Co

general_inorganic

false

null

external_cif_tar

tar:OQMD_313404

[ "Cd", "Gd" ]

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

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2

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{ "a": 7.6767377853393555, "b": 7.6767377853393555, "c": 7.6767377853393555, "alpha": 90, "beta": 90, "gamma": 90 }

225

Gd3Cd

general_inorganic

false

null

external_cif_tar

tar:OQMD_313426

[ "Ru", "Ac" ]

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

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2

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{ "a": 6.645688056945801, "b": 6.645688056945801, "c": 6.645688056945801, "alpha": 90, "beta": 90, "gamma": 90 }

225

AcRu3

general_inorganic

false

null

external_cif_tar

tar:OQMD_313437

[ "B", "Th" ]

[ 90, 90, 90, 90, 90, 90, 90, 90, 90, 90, 90, 90, 5, 5, 5, 5 ]

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{ "a": 7.4361701011657715, "b": 7.4361701011657715, "c": 7.4361701011657715, "alpha": 90, "beta": 90, "gamma": 90 }

225

Th3B

general_inorganic

false

null

external_cif_tar

tar:OQMD_313466

[ "P", "Ru" ]

[ 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 44, 44, 44, 44 ]

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{ "a": 6.012403964996338, "b": 6.012403964996338, "c": 6.012403964996338, "alpha": 90, "beta": 90, "gamma": 90 }

225

P3Ru

general_inorganic

false

null

external_cif_tar

tar:OQMD_313482

[ "Si", "Rb" ]

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

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{ "a": 8.919659614562988, "b": 8.919659614562988, "c": 8.919659614562988, "alpha": 90, "beta": 90, "gamma": 90 }

225

Rb3Si

general_inorganic

false

null

external_cif_tar

tar:OQMD_313492

[ "Sc", "Tc" ]

[ 21, 21, 21, 21, 21, 21, 21, 21, 21, 21, 21, 21, 43, 43, 43, 43 ]

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225

Sc3Tc

general_inorganic

false

null

external_cif_tar

tar:OQMD_313504

[ "H", "Fe" ]

[ 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 1, 1, 1, 1 ]

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225

Fe3H

general_inorganic

false

null

external_cif_tar

tar:OQMD_313515

[ "Ag", "Te" ]

[ 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 52, 52, 52, 52 ]

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{ "a": 6.783909797668457, "b": 6.783909797668457, "c": 6.783909797668457, "alpha": 90, "beta": 90, "gamma": 90 }

225

Ag3Te

general_inorganic

false

null

external_cif_tar

tar:OQMD_302990

[ "Se", "W" ]

[ 74, 74, 74, 74, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34 ]

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225

WSe3

general_inorganic

false

null

external_cif_tar

tar:OQMD_313543

[ "Mo", "I" ]

[ 42, 42, 42, 42, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53, 53 ]

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225

MoI3

general_inorganic

false

null

[ "halide" ]

external_cif_tar

tar:OQMD_313559

[ "Li", "Gd" ]

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

16

2

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{ "a": 6.987175941467285, "b": 6.987175941467285, "c": 6.987175941467285, "alpha": 90, "beta": 90, "gamma": 90 }

225

Li3Gd

general_inorganic

true

12

null

[ "li" ]

external_cif_tar

tar:OQMD_313572

[ "Re", "Tl" ]

[ 81, 81, 81, 81, 75, 75, 75, 75, 75, 75, 75, 75, 75, 75, 75, 75 ]

16

2

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

{ "a": 6.399032115936279, "b": 6.399032115936279, "c": 6.399032115936279, "alpha": 90, "beta": 90, "gamma": 90 }

225

TlRe3

general_inorganic

false

null

external_cif_tar

tar:OQMD_313591

[ "Li", "Ce" ]

[ 3, 3, 3, 3, 58, 58, 58, 58, 58, 58, 58, 58, 58, 58, 58, 58 ]

16

2

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

{ "a": 8.072093963623047, "b": 8.072093963623047, "c": 8.072093963623047, "alpha": 90, "beta": 90, "gamma": 90 }

225

LiCe3

general_inorganic

true

4

null

[ "li" ]

external_cif_tar

tar:OQMD_313609

[ "Sc", "Nb" ]

[ 21, 21, 21, 21, 21, 21, 21, 21, 21, 21, 21, 21, 41, 41, 41, 41 ]

16

2

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

{ "a": 6.911205768585205, "b": 6.911205768585205, "c": 6.911205768585205, "alpha": 90, "beta": 90, "gamma": 90 }

225

Sc3Nb

general_inorganic

false

null

external_cif_tar

tar:OQMD_313640

[ "Pr", "Tb" ]

[ 65, 65, 65, 65, 59, 59, 59, 59, 59, 59, 59, 59, 59, 59, 59, 59 ]

16

2

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

{ "a": 8.252304077148438, "b": 8.252304077148438, "c": 8.252304077148438, "alpha": 90, "beta": 90, "gamma": 90 }

225

TbPr3

general_inorganic

false

null

external_cif_tar

tar:OQMD_313655

[ "F", "Tc" ]

[ 43, 43, 43, 43, 43, 43, 43, 43, 43, 43, 43, 43, 9, 9, 9, 9 ]

16

2

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

{ "a": 5.9970879554748535, "b": 5.9970879554748535, "c": 5.9970879554748535, "alpha": 90, "beta": 90, "gamma": 90 }

225

Tc3F

general_inorganic

false

null

[ "halide" ]

external_cif_tar

tar:OQMD_313671

[ "Tc", "Hf" ]

[ 72, 72, 72, 72, 43, 43, 43, 43, 43, 43, 43, 43, 43, 43, 43, 43 ]

16

2

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

{ "a": 6.306456089019775, "b": 6.306456089019775, "c": 6.306456089019775, "alpha": 90, "beta": 90, "gamma": 90 }

225

HfTc3

general_inorganic

false

null

external_cif_tar

tar:OQMD_313684

[ "Be", "Er" ]

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

16

2

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

{ "a": 7.331078052520752, "b": 7.331078052520752, "c": 7.331078052520752, "alpha": 90, "beta": 90, "gamma": 90 }

225

Er3Be

general_inorganic

false

null

external_cif_tar

tar:OQMD_313699

[ "Sr", "Pd" ]

[ 38, 38, 38, 38, 46, 46, 46, 46, 46, 46, 46, 46, 46, 46, 46, 46 ]

16

2

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

{ "a": 6.708322048187256, "b": 6.708322048187256, "c": 6.708322048187256, "alpha": 90, "beta": 90, "gamma": 90 }

225

SrPd3

general_inorganic

false

null

external_cif_tar

tar:OQMD_313714

[ "N", "Hg" ]

[ 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 7, 7, 7, 7 ]

16

2

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{ "a": 6.776001930236816, "b": 6.776001930236816, "c": 6.776001930236816, "alpha": 90, "beta": 90, "gamma": 90 }

225

Hg3N

general_inorganic

false

null

external_cif_tar

tar:OQMD_313730

[ "Na", "Pa" ]

[ 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 91, 91, 91, 91 ]

16

2

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{ "a": 7.77918004989624, "b": 7.77918004989624, "c": 7.77918004989624, "alpha": 90, "beta": 90, "gamma": 90 }

225

Na3Pa

general_inorganic

false

null

external_cif_tar

tar:OQMD_313746

[ "Pm", "Ac" ]

[ 89, 89, 89, 89, 61, 61, 61, 61, 61, 61, 61, 61, 61, 61, 61, 61 ]

16

2

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

{ "a": 8.369649887084961, "b": 8.369649887084961, "c": 8.369649887084961, "alpha": 90, "beta": 90, "gamma": 90 }

225

AcPm3

general_inorganic

false

null

external_cif_tar

tar:OQMD_313763

[ "Se", "Ho" ]

[ 67, 67, 67, 67, 67, 67, 67, 67, 67, 67, 67, 67, 34, 34, 34, 34 ]

16

2

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

{ "a": 7.527182102203369, "b": 7.527182102203369, "c": 7.527182102203369, "alpha": 90, "beta": 90, "gamma": 90 }

225

Ho3Se

general_inorganic

false

null

external_cif_tar

tar:OQMD_313783

[ "Pb", "Th" ]

[ 90, 90, 90, 90, 82, 82, 82, 82, 82, 82, 82, 82, 82, 82, 82, 82 ]

16

2

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

{ "a": 7.835544109344482, "b": 7.835544109344482, "c": 7.835544109344482, "alpha": 90, "beta": 90, "gamma": 90 }

225

ThPb3

general_inorganic

false

null

external_cif_tar

tar:NOMAD_C3b04pUuFGHKcXl3AjRWZ1C9iQZb

[ "Ti", "Th" ]

[ 90, 90, 90, 90, 90, 90, 90, 90, 90, 90, 90, 90, 22, 22, 22, 22 ]

16

2

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{ "a": 7.668249130249023, "b": 7.668249130249023, "c": 7.668249130249023, "alpha": 90, "beta": 90, "gamma": 90 }

225

Th3Ti

general_inorganic

false

null

external_cif_tar