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_444414	[ "Ca", "V", "Nb" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 41, 41, 41, 41, 23, 23, 23, 23 ]	16	3	[ [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 7.311039924621582, "b": 7.311039924621582, "c": 7.311039924621582, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2NbV	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_444430	[ "Ca", "Ni", "Cu" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 29, 29, 29, 29, 28, 28, 28, 28 ]	16	3	[ [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 6.9253997802734375, "b": 6.9253997802734375, "c": 6.9253997802734375, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2CuNi	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_444444	[ "Ca", "Cd", "Yb" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 70, 70, 70, 70, 48, 48, 48, 48 ]	16	3	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 7.962989807128906, "b": 7.962989807128906, "c": 7.962989807128906, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2YbCd	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_444460	[ "Ca", "Ti", "Er" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 68, 68, 68, 68, 22, 22, 22, 22 ]	16	3	[ [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 7.888844013214111, "b": 7.888844013214111, "c": 7.888844013214111, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2ErTi	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_444473	[ "Ca", "Te", "Pb" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 52, 52, 52, 52, 82, 82, 82, 82 ]	16	3	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 7.8289642333984375, "b": 7.8289642333984375, "c": 7.8289642333984375, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2TePb	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_444489	[ "Ca", "Fe", "U" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 92, 92, 92, 92, 26, 26, 26, 26 ]	16	3	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 7.519855976104736, "b": 7.519855976104736, "c": 7.519855976104736, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2UFe	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_444502	[ "Ca", "Sb", "Bi" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 83, 83, 83, 83, 51, 51, 51, 51 ]	16	3	[ [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 7.826685905456543, "b": 7.826685905456543, "c": 7.826685905456543, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2BiSb	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_444523	[ "Mg", "Ca", "Pt" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 12, 12, 12, 12, 78, 78, 78, 78 ]	16	3	[ [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 7.282283782958984, "b": 7.282283782958984, "c": 7.282283782958984, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2MgPt	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_444534	[ "Na", "Ca", "Hg" ]	[ 11, 11, 11, 11, 20, 20, 20, 20, 20, 20, 20, 20, 80, 80, 80, 80 ]	16	3	[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 7.838327884674072, "b": 7.838327884674072, "c": 7.838327884674072, "alpha": 90, "beta": 90, "gamma": 90 }	225	NaCa2Hg	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_444555	[ "Ca", "Ga", "Nb" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 41, 41, 41, 41, 31, 31, 31, 31 ]	16	3	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 7.40699577331543, "b": 7.40699577331543, "c": 7.40699577331543, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2NbGa	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_444568	[ "Ca", "Sr", "La" ]	[ 38, 38, 38, 38, 20, 20, 20, 20, 20, 20, 20, 20, 57, 57, 57, 57 ]	16	3	[ [ 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 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 8.821087837219238, "b": 8.821087837219238, "c": 8.821087837219238, "alpha": 90, "beta": 90, "gamma": 90 }	225	SrCa2La	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_zgtc2-BgdyJf2fdE4fDABJu-ZBDI	[ "B", "Ca", "Y" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 39, 39, 39, 39, 5, 5, 5, 5 ]	16	3	[ [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 7.42805814743042, "b": 7.42805814743042, "c": 7.42805814743042, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2YB	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_FJG5MNDtkEwT0BQ4By8j6Wk1Xh-2	[ "Ca", "Ge", "Sr" ]	[ 38, 38, 38, 38, 20, 20, 20, 20, 20, 20, 20, 20, 32, 32, 32, 32 ]	16	3	[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 7.985637664794922, "b": 7.985637664794922, "c": 7.985637664794922, "alpha": 90, "beta": 90, "gamma": 90 }	225	SrCa2Ge	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_444612	[ "K", "Ca", "W" ]	[ 19, 19, 19, 19, 20, 20, 20, 20, 20, 20, 20, 20, 74, 74, 74, 74 ]	16	3	[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 7.976315975189209, "b": 7.976315975189209, "c": 7.976315975189209, "alpha": 90, "beta": 90, "gamma": 90 }	225	KCa2W	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_444625	[ "Ca", "Pr", "Ho" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 59, 59, 59, 59, 67, 67, 67, 67 ]	16	3	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 8.350367546081543, "b": 8.350367546081543, "c": 8.350367546081543, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2PrHo	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_hLBMlRXpdtxECOnv7DzSslaeJVQ4	[ "K", "Ca", "Ti" ]	[ 19, 19, 19, 19, 20, 20, 20, 20, 20, 20, 20, 20, 22, 22, 22, 22 ]	16	3	[ [ 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 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 8.427072525024414, "b": 8.427072525024414, "c": 8.427072525024414, "alpha": 90, "beta": 90, "gamma": 90 }	225	KCa2Ti	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_444654	[ "Ca", "Tm", "Re" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 69, 69, 69, 69, 75, 75, 75, 75 ]	16	3	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 7.358890056610107, "b": 7.358890056610107, "c": 7.358890056610107, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2TmRe	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_444669	[ "Ca", "Y", "Ba" ]	[ 56, 56, 56, 56, 20, 20, 20, 20, 20, 20, 20, 20, 39, 39, 39, 39 ]	16	3	[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 8.785120010375977, "b": 8.785120010375977, "c": 8.785120010375977, "alpha": 90, "beta": 90, "gamma": 90 }	225	BaCa2Y	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_444686	[ "Ca", "Tm", "Hf" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 69, 69, 69, 69, 72, 72, 72, 72 ]	16	3	[ [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 7.901828765869141, "b": 7.901828765869141, "c": 7.901828765869141, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2TmHf	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_444700	[ "B", "Ca", "Au" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 5, 5, 5, 5, 79, 79, 79, 79 ]	16	3	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 6.967373847961426, "b": 6.967373847961426, "c": 6.967373847961426, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2BAu	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_444715	[ "Ca", "V", "Ac" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 89, 89, 89, 89, 23, 23, 23, 23 ]	16	3	[ [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 8.174712181091309, "b": 8.174712181091309, "c": 8.174712181091309, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2AcV	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_444733	[ "Ca", "Te", "Au" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 52, 52, 52, 52, 79, 79, 79, 79 ]	16	3	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 7.535704135894775, "b": 7.535704135894775, "c": 7.535704135894775, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2TeAu	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_444758	[ "Ca", "V", "Ag" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 23, 23, 23, 23, 47, 47, 47, 47 ]	16	3	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 7.454483985900879, "b": 7.454483985900879, "c": 7.454483985900879, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2VAg	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_444775	[ "Ca", "Lu", "Ac" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 89, 89, 89, 89, 71, 71, 71, 71 ]	16	3	[ [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 8.467473983764648, "b": 8.467473983764648, "c": 8.467473983764648, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2AcLu	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_444792	[ "Ca", "Rb", "Ir" ]	[ 37, 37, 37, 37, 20, 20, 20, 20, 20, 20, 20, 20, 77, 77, 77, 77 ]	16	3	[ [ 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 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 7.6079277992248535, "b": 7.6079277992248535, "c": 7.6079277992248535, "alpha": 90, "beta": 90, "gamma": 90 }	225	RbCa2Ir	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_444804	[ "Li", "Be", "Ca" ]	[ 3, 3, 3, 3, 20, 20, 20, 20, 20, 20, 20, 20, 4, 4, 4, 4 ]	16	3	[ [ 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 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 7.335907936096191, "b": 7.335907936096191, "c": 7.335907936096191, "alpha": 90, "beta": 90, "gamma": 90 }	225	LiCa2Be	general_inorganic	true	4	null	null	null	null	[ "li" ]	external_cif_tar
tar:OQMD_444816	[ "Ca", "Ti", "Tm" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 69, 69, 69, 69, 22, 22, 22, 22 ]	16	3	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 7.900753974914551, "b": 7.900753974914551, "c": 7.900753974914551, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2TmTi	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_444831	[ "Be", "Ca", "Mn" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 25, 25, 25, 25, 4, 4, 4, 4 ]	16	3	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 7.128116130828857, "b": 7.128116130828857, "c": 7.128116130828857, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2MnBe	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_444849	[ "Ca", "Sr", "Gd" ]	[ 38, 38, 38, 38, 20, 20, 20, 20, 20, 20, 20, 20, 64, 64, 64, 64 ]	16	3	[ [ 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 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 8.67110824584961, "b": 8.67110824584961, "c": 8.67110824584961, "alpha": 90, "beta": 90, "gamma": 90 }	225	SrCa2Gd	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_444885	[ "Ca", "Hf", "U" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 72, 72, 72, 72, 92, 92, 92, 92 ]	16	3	[ [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 7.8469557762146, "b": 7.8469557762146, "c": 7.8469557762146, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2HfU	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_444898	[ "Ca", "Ru", "Os" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 76, 76, 76, 76, 44, 44, 44, 44 ]	16	3	[ [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 6.8260698318481445, "b": 6.8260698318481445, "c": 6.8260698318481445, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2OsRu	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_444924	[ "Ca", "Fe", "Cu" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 26, 26, 26, 26, 29, 29, 29, 29 ]	16	3	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 6.934470176696777, "b": 6.934470176696777, "c": 6.934470176696777, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2FeCu	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_444938	[ "Al", "Ca", "Sm" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 62, 62, 62, 62, 13, 13, 13, 13 ]	16	3	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 7.864520072937012, "b": 7.864520072937012, "c": 7.864520072937012, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2SmAl	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_444951	[ "Be", "Ca", "Hf" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 72, 72, 72, 72, 4, 4, 4, 4 ]	16	3	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 7.414090156555176, "b": 7.414090156555176, "c": 7.414090156555176, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2HfBe	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_444965	[ "Ca", "Fe", "Ta" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 73, 73, 73, 73, 26, 26, 26, 26 ]	16	3	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 7.087309837341309, "b": 7.087309837341309, "c": 7.087309837341309, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2TaFe	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_444982	[ "Ca", "Sc", "Sm" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 62, 62, 62, 62, 21, 21, 21, 21 ]	16	3	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 8.82304573059082, "b": 8.82304573059082, "c": 8.82304573059082, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2SmSc	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_444996	[ "Ca", "Cu", "Pu" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 94, 94, 94, 94, 29, 29, 29, 29 ]	16	3	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 7.4962921142578125, "b": 7.4962921142578125, "c": 7.4962921142578125, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2PuCu	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_iVgi-JgzF7MWMBk0Cbxkoeiedw_h	[ "B", "Na", "Ca" ]	[ 11, 11, 11, 11, 20, 20, 20, 20, 20, 20, 20, 20, 5, 5, 5, 5 ]	16	3	[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 7.163971424102783, "b": 7.163971424102783, "c": 7.163971424102783, "alpha": 90, "beta": 90, "gamma": 90 }	225	NaCa2B	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_445021	[ "Ca", "Sm", "Dy" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 62, 62, 62, 62, 66, 66, 66, 66 ]	16	3	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 8.297348022460938, "b": 8.297348022460938, "c": 8.297348022460938, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2SmDy	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_445043	[ "Ca", "Mo", "Gd" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 64, 64, 64, 64, 42, 42, 42, 42 ]	16	3	[ [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 7.663733959197998, "b": 7.663733959197998, "c": 7.663733959197998, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2GdMo	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_HIXC5qm1GJr2FZsdg0vCOn1s_JJX	[ "Li", "As", "Yb" ]	[ 3, 3, 3, 3, 3, 3, 3, 3, 70, 70, 70, 70, 33, 33, 33, 33 ]	16	3	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 6.4902238845825195, "b": 6.4902238845825195, "c": 6.4902238845825195, "alpha": 90, "beta": 90, "gamma": 90 }	225	Li2YbAs	general_inorganic	true	8	null	null	null	null	[ "li" ]	external_cif_tar
tar:OQMD_445076	[ "Li", "Zn", "Pb" ]	[ 3, 3, 3, 3, 3, 3, 3, 3, 30, 30, 30, 30, 82, 82, 82, 82 ]	16	3	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 6.53071403503418, "b": 6.53071403503418, "c": 6.53071403503418, "alpha": 90, "beta": 90, "gamma": 90 }	225	Li2ZnPb	general_inorganic	true	8	null	null	null	null	[ "li" ]	external_cif_tar
tar:OQMD_445109	[ "Li", "Gd", "Pu" ]	[ 3, 3, 3, 3, 3, 3, 3, 3, 64, 64, 64, 64, 94, 94, 94, 94 ]	16	3	[ [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 7.0507001876831055, "b": 7.0507001876831055, "c": 7.0507001876831055, "alpha": 90, "beta": 90, "gamma": 90 }	225	Li2GdPu	general_inorganic	true	8	null	null	null	null	[ "li" ]	external_cif_tar
tar:OQMD_445121	[ "Li", "Ti", "Ni" ]	[ 3, 3, 3, 3, 3, 3, 3, 3, 22, 22, 22, 22, 28, 28, 28, 28 ]	16	3	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 5.887216091156006, "b": 5.887216091156006, "c": 5.887216091156006, "alpha": 90, "beta": 90, "gamma": 90 }	225	Li2TiNi	general_inorganic	true	8	null	null	null	null	[ "li" ]	external_cif_tar
tar:NOMAD_qd9nvnWwsWWXs3bCAdQ8jBYOXgeF	[ "Li", "Ge", "Th" ]	[ 3, 3, 3, 3, 3, 3, 3, 3, 90, 90, 90, 90, 32, 32, 32, 32 ]	16	3	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 6.616168022155762, "b": 6.616168022155762, "c": 6.616168022155762, "alpha": 90, "beta": 90, "gamma": 90 }	225	Li2ThGe	general_inorganic	true	8	null	null	null	null	[ "li" ]	external_cif_tar
tar:OQMD_445163	[ "Li", "Co", "Rb" ]	[ 37, 37, 37, 37, 3, 3, 3, 3, 3, 3, 3, 3, 27, 27, 27, 27 ]	16	3	[ [ 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 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 7.194821834564209, "b": 7.194821834564209, "c": 7.194821834564209, "alpha": 90, "beta": 90, "gamma": 90 }	225	RbLi2Co	general_inorganic	true	8	null	null	null	null	[ "li" ]	external_cif_tar
tar:OQMD_445181	[ "Li", "Rh", "Nd" ]	[ 3, 3, 3, 3, 3, 3, 3, 3, 60, 60, 60, 60, 45, 45, 45, 45 ]	16	3	[ [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 6.512561798095703, "b": 6.512561798095703, "c": 6.512561798095703, "alpha": 90, "beta": 90, "gamma": 90 }	225	Li2NdRh	general_inorganic	true	8	null	null	null	null	[ "li" ]	external_cif_tar
tar:NOMAD_7q5jcS1oApaM9zBT95e2A5NNX7kV	[ "Li", "Mn", "Ga" ]	[ 3, 3, 3, 3, 3, 3, 3, 3, 25, 25, 25, 25, 31, 31, 31, 31 ]	16	3	[ [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 5.827068328857422, "b": 5.827068328857422, "c": 5.827068328857422, "alpha": 90, "beta": 90, "gamma": 90 }	225	Li2MnGa	general_inorganic	true	8	null	null	null	null	[ "li" ]	external_cif_tar
tar:NOMAD_kD13RJUqxzYrlXv8A0y6gsAvvgA_	[ "Li", "Rb", "Eu" ]	[ 37, 37, 37, 37, 3, 3, 3, 3, 3, 3, 3, 3, 63, 63, 63, 63 ]	16	3	[ [ 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 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 8.52726936340332, "b": 8.52726936340332, "c": 8.52726936340332, "alpha": 90, "beta": 90, "gamma": 90 }	225	RbLi2Eu	general_inorganic	true	8	null	null	null	null	[ "li" ]	external_cif_tar
tar:OQMD_445231	[ "Li", "Na", "Dy" ]	[ 11, 11, 11, 11, 3, 3, 3, 3, 3, 3, 3, 3, 66, 66, 66, 66 ]	16	3	[ [ 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 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 7.3014302253723145, "b": 7.3014302253723145, "c": 7.3014302253723145, "alpha": 90, "beta": 90, "gamma": 90 }	225	NaLi2Dy	general_inorganic	true	8	null	null	null	null	[ "li" ]	external_cif_tar
tar:OQMD_445272	[ "Li", "Tc", "W" ]	[ 3, 3, 3, 3, 3, 3, 3, 3, 43, 43, 43, 43, 74, 74, 74, 74 ]	16	3	[ [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 5.873025894165039, "b": 5.873025894165039, "c": 5.873025894165039, "alpha": 90, "beta": 90, "gamma": 90 }	225	Li2TcW	general_inorganic	true	8	null	null	null	null	[ "li" ]	external_cif_tar
tar:OQMD_445289	[ "Li", "Cr", "Rh" ]	[ 3, 3, 3, 3, 3, 3, 3, 3, 24, 24, 24, 24, 45, 45, 45, 45 ]	16	3	[ [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 5.931148052215576, "b": 5.931148052215576, "c": 5.931148052215576, "alpha": 90, "beta": 90, "gamma": 90 }	225	Li2CrRh	general_inorganic	true	8	null	null	null	null	[ "li" ]	external_cif_tar
tar:OQMD_445309	[ "Li", "Cr", "Ta" ]	[ 3, 3, 3, 3, 3, 3, 3, 3, 73, 73, 73, 73, 24, 24, 24, 24 ]	16	3	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 6.034292221069336, "b": 6.034292221069336, "c": 6.034292221069336, "alpha": 90, "beta": 90, "gamma": 90 }	225	Li2TaCr	general_inorganic	true	8	null	null	null	null	[ "li" ]	external_cif_tar
tar:OQMD_445324	[ "Li", "Sc", "Ba" ]	[ 56, 56, 56, 56, 3, 3, 3, 3, 3, 3, 3, 3, 21, 21, 21, 21 ]	16	3	[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 7.747705936431885, "b": 7.747705936431885, "c": 7.747705936431885, "alpha": 90, "beta": 90, "gamma": 90 }	225	BaLi2Sc	general_inorganic	true	8	null	null	null	null	[ "li" ]	external_cif_tar
tar:OQMD_445339	[ "Li", "V", "Ho" ]	[ 3, 3, 3, 3, 3, 3, 3, 3, 67, 67, 67, 67, 23, 23, 23, 23 ]	16	3	[ [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 6.75474214553833, "b": 6.75474214553833, "c": 6.75474214553833, "alpha": 90, "beta": 90, "gamma": 90 }	225	Li2HoV	general_inorganic	true	8	null	null	null	null	[ "li" ]	external_cif_tar
tar:OQMD_445354	[ "Li", "Zr", "Pt" ]	[ 3, 3, 3, 3, 3, 3, 3, 3, 40, 40, 40, 40, 78, 78, 78, 78 ]	16	3	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 6.178679943084717, "b": 6.178679943084717, "c": 6.178679943084717, "alpha": 90, "beta": 90, "gamma": 90 }	225	Li2ZrPt	general_inorganic	true	8	null	null	null	null	[ "li" ]	external_cif_tar
tar:OQMD_445371	[ "Li", "Co", "Zn" ]	[ 3, 3, 3, 3, 3, 3, 3, 3, 30, 30, 30, 30, 27, 27, 27, 27 ]	16	3	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 5.758925914764404, "b": 5.758925914764404, "c": 5.758925914764404, "alpha": 90, "beta": 90, "gamma": 90 }	225	Li2ZnCo	general_inorganic	true	8	null	null	null	null	[ "li" ]	external_cif_tar
tar:OQMD_445391	[ "Li", "Pm", "Pa" ]	[ 3, 3, 3, 3, 3, 3, 3, 3, 61, 61, 61, 61, 91, 91, 91, 91 ]	16	3	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 7.106678009033203, "b": 7.106678009033203, "c": 7.106678009033203, "alpha": 90, "beta": 90, "gamma": 90 }	225	Li2PmPa	general_inorganic	true	8	null	null	null	null	[ "li" ]	external_cif_tar
tar:NOMAD_uoryTeKKSG6QcVM_J8p7SOwl_PNW	[ "Li", "Nb", "Th" ]	[ 3, 3, 3, 3, 3, 3, 3, 3, 90, 90, 90, 90, 41, 41, 41, 41 ]	16	3	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 6.757199764251709, "b": 6.757199764251709, "c": 6.757199764251709, "alpha": 90, "beta": 90, "gamma": 90 }	225	Li2ThNb	general_inorganic	true	8	null	null	null	null	[ "li" ]	external_cif_tar
tar:OQMD_445424	[ "Li", "Ho", "Au" ]	[ 3, 3, 3, 3, 3, 3, 3, 3, 67, 67, 67, 67, 79, 79, 79, 79 ]	16	3	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 6.560123920440674, "b": 6.560123920440674, "c": 6.560123920440674, "alpha": 90, "beta": 90, "gamma": 90 }	225	Li2HoAu	general_inorganic	true	8	null	null	null	null	[ "li" ]	external_cif_tar
tar:NOMAD_3MzaPiwWdhsFPNa3khnoNmpRYCOg	[ "Li", "La", "Ho" ]	[ 3, 3, 3, 3, 3, 3, 3, 3, 57, 57, 57, 57, 67, 67, 67, 67 ]	16	3	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 7.475801467895508, "b": 7.475801467895508, "c": 7.475801467895508, "alpha": 90, "beta": 90, "gamma": 90 }	225	Li2LaHo	general_inorganic	true	8	null	null	null	null	[ "li" ]	external_cif_tar
tar:OQMD_445459	[ "Li", "Gd", "Hf" ]	[ 3, 3, 3, 3, 3, 3, 3, 3, 64, 64, 64, 64, 72, 72, 72, 72 ]	16	3	[ [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 6.972996234893799, "b": 6.972996234893799, "c": 6.972996234893799, "alpha": 90, "beta": 90, "gamma": 90 }	225	Li2GdHf	general_inorganic	true	8	null	null	null	null	[ "li" ]	external_cif_tar
tar:OQMD_445474	[ "Li", "Rh", "Pd" ]	[ 3, 3, 3, 3, 3, 3, 3, 3, 46, 46, 46, 46, 45, 45, 45, 45 ]	16	3	[ [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 5.883950233459473, "b": 5.883950233459473, "c": 5.883950233459473, "alpha": 90, "beta": 90, "gamma": 90 }	225	Li2PdRh	general_inorganic	true	8	null	null	null	null	[ "li" ]	external_cif_tar
tar:OQMD_445490	[ "Li", "Co", "Hf" ]	[ 3, 3, 3, 3, 3, 3, 3, 3, 72, 72, 72, 72, 27, 27, 27, 27 ]	16	3	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 5.981421947479248, "b": 5.981421947479248, "c": 5.981421947479248, "alpha": 90, "beta": 90, "gamma": 90 }	225	Li2HfCo	general_inorganic	true	8	null	null	null	null	[ "li" ]	external_cif_tar
tar:OQMD_445505	[ "Li", "Sc", "Tm" ]	[ 3, 3, 3, 3, 3, 3, 3, 3, 69, 69, 69, 69, 21, 21, 21, 21 ]	16	3	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 7.052532196044922, "b": 7.052532196044922, "c": 7.052532196044922, "alpha": 90, "beta": 90, "gamma": 90 }	225	Li2TmSc	general_inorganic	true	8	null	null	null	null	[ "li" ]	external_cif_tar
tar:NOMAD_0aWYcuprg9wsTIbaf3lZhX08KhBP	[ "Li", "Gd", "Pt" ]	[ 3, 3, 3, 3, 3, 3, 3, 3, 64, 64, 64, 64, 78, 78, 78, 78 ]	16	3	[ [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 6.460531234741211, "b": 6.460531234741211, "c": 6.460531234741211, "alpha": 90, "beta": 90, "gamma": 90 }	225	Li2GdPt	general_inorganic	true	8	null	null	null	null	[ "li" ]	external_cif_tar
tar:OQMD_445536	[ "Li", "Al", "As" ]	[ 3, 3, 3, 3, 3, 3, 3, 3, 13, 13, 13, 13, 33, 33, 33, 33 ]	16	3	[ [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 6.331274032592773, "b": 6.331274032592773, "c": 6.331274032592773, "alpha": 90, "beta": 90, "gamma": 90 }	225	Li2AlAs	general_inorganic	true	8	null	null	null	null	[ "li" ]	external_cif_tar
tar:OQMD_445555	[ "Li", "Zr", "Th" ]	[ 3, 3, 3, 3, 3, 3, 3, 3, 90, 90, 90, 90, 40, 40, 40, 40 ]	16	3	[ [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 7.002587795257568, "b": 7.002587795257568, "c": 7.002587795257568, "alpha": 90, "beta": 90, "gamma": 90 }	225	Li2ThZr	general_inorganic	true	8	null	null	null	null	[ "li" ]	external_cif_tar
tar:OQMD_445572	[ "Li", "Na", "Rb" ]	[ 37, 37, 37, 37, 11, 11, 11, 11, 3, 3, 3, 3, 3, 3, 3, 3 ]	16	3	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ] ]	{ "a": 8.22485637664795, "b": 8.22485637664795, "c": 8.22485637664795, "alpha": 90, "beta": 90, "gamma": 90 }	225	RbNaLi2	general_inorganic	true	8	null	null	null	null	[ "li" ]	external_cif_tar
tar:OQMD_445587	[ "Li", "Mn", "Fe" ]	[ 3, 3, 3, 3, 3, 3, 3, 3, 25, 25, 25, 25, 26, 26, 26, 26 ]	16	3	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 5.815371990203857, "b": 5.815371990203857, "c": 5.815371990203857, "alpha": 90, "beta": 90, "gamma": 90 }	225	Li2MnFe	general_inorganic	true	8	null	null	null	null	[ "li" ]	external_cif_tar
tar:NOMAD_5QhQax24i7e-65TDYGN22UdM-4AD	[ "Li", "Ca", "Er" ]	[ 3, 3, 3, 3, 3, 3, 3, 3, 20, 20, 20, 20, 68, 68, 68, 68 ]	16	3	[ [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 7.503262996673584, "b": 7.503262996673584, "c": 7.503262996673584, "alpha": 90, "beta": 90, "gamma": 90 }	225	Li2CaEr	general_inorganic	true	8	null	null	null	null	[ "li" ]	external_cif_tar
tar:OQMD_445618	[ "Li", "Tc", "Er" ]	[ 3, 3, 3, 3, 3, 3, 3, 3, 68, 68, 68, 68, 43, 43, 43, 43 ]	16	3	[ [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 6.401927947998047, "b": 6.401927947998047, "c": 6.401927947998047, "alpha": 90, "beta": 90, "gamma": 90 }	225	Li2ErTc	general_inorganic	true	8	null	null	null	null	[ "li" ]	external_cif_tar
tar:NOMAD_7GvvfgYpiar47k7LyfqBGywekZZK	[ "Li", "Ho", "Pt" ]	[ 3, 3, 3, 3, 3, 3, 3, 3, 67, 67, 67, 67, 78, 78, 78, 78 ]	16	3	[ [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 6.403911113739014, "b": 6.403911113739014, "c": 6.403911113739014, "alpha": 90, "beta": 90, "gamma": 90 }	225	Li2HoPt	general_inorganic	true	8	null	null	null	null	[ "li" ]	external_cif_tar
tar:NOMAD_tjAbBaybxE_YV9qXhuBh_iG0ByDX	[ "Li", "Tm", "Pb" ]	[ 3, 3, 3, 3, 3, 3, 3, 3, 69, 69, 69, 69, 82, 82, 82, 82 ]	16	3	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 6.838708877563477, "b": 6.838708877563477, "c": 6.838708877563477, "alpha": 90, "beta": 90, "gamma": 90 }	225	Li2TmPb	general_inorganic	true	8	null	null	null	null	[ "li" ]	external_cif_tar
tar:OQMD_445668	[ "Li", "Si", "Sc" ]	[ 3, 3, 3, 3, 3, 3, 3, 3, 21, 21, 21, 21, 14, 14, 14, 14 ]	16	3	[ [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 6.138497829437256, "b": 6.138497829437256, "c": 6.138497829437256, "alpha": 90, "beta": 90, "gamma": 90 }	225	Li2ScSi	electrolyte_relevant	true	8	null	null	null	null	[ "li", "electrolyte_candidate" ]	external_cif_tar
tar:OQMD_445682	[ "Li", "Mo", "Lu" ]	[ 3, 3, 3, 3, 3, 3, 3, 3, 71, 71, 71, 71, 42, 42, 42, 42 ]	16	3	[ [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 6.470871925354004, "b": 6.470871925354004, "c": 6.470871925354004, "alpha": 90, "beta": 90, "gamma": 90 }	225	Li2LuMo	general_inorganic	true	8	null	null	null	null	[ "li" ]	external_cif_tar
tar:OQMD_445703	[ "Li", "Na", "Ga" ]	[ 11, 11, 11, 11, 3, 3, 3, 3, 3, 3, 3, 3, 31, 31, 31, 31 ]	16	3	[ [ 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 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 6.630919933319092, "b": 6.630919933319092, "c": 6.630919933319092, "alpha": 90, "beta": 90, "gamma": 90 }	225	NaLi2Ga	general_inorganic	true	8	null	null	null	null	[ "li" ]	external_cif_tar
tar:OQMD_445714	[ "Li", "Ca", "Ag" ]	[ 3, 3, 3, 3, 3, 3, 3, 3, 20, 20, 20, 20, 47, 47, 47, 47 ]	16	3	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 6.883984088897705, "b": 6.883984088897705, "c": 6.883984088897705, "alpha": 90, "beta": 90, "gamma": 90 }	225	Li2CaAg	general_inorganic	true	8	null	null	null	null	[ "li" ]	external_cif_tar
tar:OQMD_445726	[ "Li", "Na", "Tc" ]	[ 11, 11, 11, 11, 3, 3, 3, 3, 3, 3, 3, 3, 43, 43, 43, 43 ]	16	3	[ [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 6.510156154632568, "b": 6.510156154632568, "c": 6.510156154632568, "alpha": 90, "beta": 90, "gamma": 90 }	225	NaLi2Tc	general_inorganic	true	8	null	null	null	null	[ "li" ]	external_cif_tar
tar:NOMAD_Owl64G4Juh0G-XHQHr50BY_piWYa	[ "Li", "B", "Mo" ]	[ 3, 3, 3, 3, 3, 3, 3, 3, 5, 5, 5, 5, 42, 42, 42, 42 ]	16	3	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 5.493209362030029, "b": 5.493209362030029, "c": 5.493209362030029, "alpha": 90, "beta": 90, "gamma": 90 }	225	Li2BMo	general_inorganic	true	8	null	null	null	null	[ "li" ]	external_cif_tar
tar:OQMD_445756	[ "Li", "V", "Cr" ]	[ 3, 3, 3, 3, 3, 3, 3, 3, 23, 23, 23, 23, 24, 24, 24, 24 ]	16	3	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 6.070911884307861, "b": 6.070911884307861, "c": 6.070911884307861, "alpha": 90, "beta": 90, "gamma": 90 }	225	Li2VCr	general_inorganic	true	8	null	null	null	null	[ "li" ]	external_cif_tar
tar:OQMD_445775	[ "Li", "Ir", "Pa" ]	[ 3, 3, 3, 3, 3, 3, 3, 3, 91, 91, 91, 91, 77, 77, 77, 77 ]	16	3	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 6.249001979827881, "b": 6.249001979827881, "c": 6.249001979827881, "alpha": 90, "beta": 90, "gamma": 90 }	225	Li2PaIr	general_inorganic	true	8	null	null	null	null	[ "li" ]	external_cif_tar
tar:OQMD_445790	[ "Li", "Cu", "Ta" ]	[ 3, 3, 3, 3, 3, 3, 3, 3, 73, 73, 73, 73, 29, 29, 29, 29 ]	16	3	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 5.930553913116455, "b": 5.930553913116455, "c": 5.930553913116455, "alpha": 90, "beta": 90, "gamma": 90 }	225	Li2TaCu	general_inorganic	true	8	null	null	null	null	[ "li" ]	external_cif_tar
tar:OQMD_445811	[ "Li", "V", "Cu" ]	[ 3, 3, 3, 3, 3, 3, 3, 3, 23, 23, 23, 23, 29, 29, 29, 29 ]	16	3	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 5.947442054748535, "b": 5.947442054748535, "c": 5.947442054748535, "alpha": 90, "beta": 90, "gamma": 90 }	225	Li2VCu	general_inorganic	true	8	null	null	null	null	[ "li" ]	external_cif_tar
tar:NOMAD_63cyOf_a-osgf-KP-GDVL1JBMbDc	[ "Li", "Bi", "Pa" ]	[ 3, 3, 3, 3, 3, 3, 3, 3, 91, 91, 91, 91, 83, 83, 83, 83 ]	16	3	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 6.868941307067871, "b": 6.868941307067871, "c": 6.868941307067871, "alpha": 90, "beta": 90, "gamma": 90 }	225	Li2PaBi	general_inorganic	true	8	null	null	null	null	[ "li" ]	external_cif_tar
tar:OQMD_445854	[ "Li", "Tc", "Tb" ]	[ 3, 3, 3, 3, 3, 3, 3, 3, 65, 65, 65, 65, 43, 43, 43, 43 ]	16	3	[ [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 6.456428050994873, "b": 6.456428050994873, "c": 6.456428050994873, "alpha": 90, "beta": 90, "gamma": 90 }	225	Li2TbTc	general_inorganic	true	8	null	null	null	null	[ "li" ]	external_cif_tar
tar:OQMD_445872	[ "Li", "Eu", "Tm" ]	[ 3, 3, 3, 3, 3, 3, 3, 3, 63, 63, 63, 63, 69, 69, 69, 69 ]	16	3	[ [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 7.570486068725586, "b": 7.570486068725586, "c": 7.570486068725586, "alpha": 90, "beta": 90, "gamma": 90 }	225	Li2EuTm	general_inorganic	true	8	null	null	null	null	[ "li" ]	external_cif_tar
tar:OQMD_445886	[ "Li", "Ru", "Bi" ]	[ 3, 3, 3, 3, 3, 3, 3, 3, 83, 83, 83, 83, 44, 44, 44, 44 ]	16	3	[ [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 6.266818046569824, "b": 6.266818046569824, "c": 6.266818046569824, "alpha": 90, "beta": 90, "gamma": 90 }	225	Li2BiRu	general_inorganic	true	8	null	null	null	null	[ "li" ]	external_cif_tar
tar:OQMD_445897	[ "Li", "Rh", "Tm" ]	[ 3, 3, 3, 3, 3, 3, 3, 3, 69, 69, 69, 69, 45, 45, 45, 45 ]	16	3	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 6.336852073669434, "b": 6.336852073669434, "c": 6.336852073669434, "alpha": 90, "beta": 90, "gamma": 90 }	225	Li2TmRh	general_inorganic	true	8	null	null	null	null	[ "li" ]	external_cif_tar
tar:OQMD_445910	[ "Li", "Ga", "W" ]	[ 3, 3, 3, 3, 3, 3, 3, 3, 31, 31, 31, 31, 74, 74, 74, 74 ]	16	3	[ [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 6.006219863891602, "b": 6.006219863891602, "c": 6.006219863891602, "alpha": 90, "beta": 90, "gamma": 90 }	225	Li2GaW	general_inorganic	true	8	null	null	null	null	[ "li" ]	external_cif_tar
tar:OQMD_445923	[ "Li", "Y", "Ir" ]	[ 3, 3, 3, 3, 3, 3, 3, 3, 39, 39, 39, 39, 77, 77, 77, 77 ]	16	3	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 6.355559825897217, "b": 6.355559825897217, "c": 6.355559825897217, "alpha": 90, "beta": 90, "gamma": 90 }	225	Li2YIr	general_inorganic	true	8	null	null	null	null	[ "li" ]	external_cif_tar
tar:NOMAD_ESLRJT677YR4B03xIHL_fs9k3sKd	[ "Li", "Ru", "Gd" ]	[ 3, 3, 3, 3, 3, 3, 3, 3, 64, 64, 64, 64, 44, 44, 44, 44 ]	16	3	[ [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 6.3903913497924805, "b": 6.3903913497924805, "c": 6.3903913497924805, "alpha": 90, "beta": 90, "gamma": 90 }	225	Li2GdRu	general_inorganic	true	8	null	null	null	null	[ "li" ]	external_cif_tar
tar:NOMAD_2a23FiQP5Kn3LMKD94AadN6c7UCm	[ "Li", "Ni", "Pa" ]	[ 3, 3, 3, 3, 3, 3, 3, 3, 91, 91, 91, 91, 28, 28, 28, 28 ]	16	3	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 6.178865432739258, "b": 6.178865432739258, "c": 6.178865432739258, "alpha": 90, "beta": 90, "gamma": 90 }	225	Li2PaNi	general_inorganic	true	8	null	null	null	null	[ "li" ]	external_cif_tar
tar:OQMD_445974	[ "Li", "Mg", "Y" ]	[ 3, 3, 3, 3, 3, 3, 3, 3, 39, 39, 39, 39, 12, 12, 12, 12 ]	16	3	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 7.029652118682861, "b": 7.029652118682861, "c": 7.029652118682861, "alpha": 90, "beta": 90, "gamma": 90 }	225	Li2YMg	general_inorganic	true	8	null	null	null	null	[ "li" ]	external_cif_tar
tar:OQMD_445989	[ "Li", "Sr", "Eu" ]	[ 38, 38, 38, 38, 3, 3, 3, 3, 3, 3, 3, 3, 63, 63, 63, 63 ]	16	3	[ [ 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 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 8.10876178741455, "b": 8.10876178741455, "c": 8.10876178741455, "alpha": 90, "beta": 90, "gamma": 90 }	225	SrLi2Eu	general_inorganic	true	8	null	null	null	null	[ "li" ]	external_cif_tar
tar:NOMAD_jKo5uP1r-6-X9nDCgb8vkOZwL1xK	[ "Li", "Zr", "Pa" ]	[ 3, 3, 3, 3, 3, 3, 3, 3, 40, 40, 40, 40, 91, 91, 91, 91 ]	16	3	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 6.769391059875488, "b": 6.769391059875488, "c": 6.769391059875488, "alpha": 90, "beta": 90, "gamma": 90 }	225	Li2ZrPa	general_inorganic	true	8	null	null	null	null	[ "li" ]	external_cif_tar
tar:NOMAD_UPQqBfmAd-iIus2LiIcEWhxti_Ii	[ "Li", "Bi", "Np" ]	[ 3, 3, 3, 3, 3, 3, 3, 3, 93, 93, 93, 93, 83, 83, 83, 83 ]	16	3	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 6.906479358673096, "b": 6.906479358673096, "c": 6.906479358673096, "alpha": 90, "beta": 90, "gamma": 90 }	225	Li2NpBi	general_inorganic	true	8	null	null	null	null	[ "li" ]	external_cif_tar
tar:NOMAD_RgG7KK-8pwz5fPODtQ4L342ny1-b	[ "Li", "Mo", "Pa" ]	[ 3, 3, 3, 3, 3, 3, 3, 3, 91, 91, 91, 91, 42, 42, 42, 42 ]	16	3	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 6.381402015686035, "b": 6.381402015686035, "c": 6.381402015686035, "alpha": 90, "beta": 90, "gamma": 90 }	225	Li2PaMo	general_inorganic	true	8	null	null	null	null	[ "li" ]	external_cif_tar
tar:OQMD_446056	[ "Li", "Mo", "Pb" ]	[ 3, 3, 3, 3, 3, 3, 3, 3, 42, 42, 42, 42, 82, 82, 82, 82 ]	16	3	[ [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 6.446043968200684, "b": 6.446043968200684, "c": 6.446043968200684, "alpha": 90, "beta": 90, "gamma": 90 }	225	Li2MoPb	general_inorganic	true	8	null	null	null	null	[ "li" ]	external_cif_tar
tar:OQMD_446069	[ "Li", "Tc", "Au" ]	[ 3, 3, 3, 3, 3, 3, 3, 3, 43, 43, 43, 43, 79, 79, 79, 79 ]	16	3	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 6.062347888946533, "b": 6.062347888946533, "c": 6.062347888946533, "alpha": 90, "beta": 90, "gamma": 90 }	225	Li2TcAu	general_inorganic	true	8	null	null	null	null	[ "li" ]	external_cif_tar

tar:OQMD_444414

[ "Ca", "V", "Nb" ]

[ 20, 20, 20, 20, 20, 20, 20, 20, 41, 41, 41, 41, 23, 23, 23, 23 ]

16

3

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{ "a": 7.311039924621582, "b": 7.311039924621582, "c": 7.311039924621582, "alpha": 90, "beta": 90, "gamma": 90 }

225

Ca2NbV

general_inorganic

false

null

external_cif_tar

tar:OQMD_444430

[ "Ca", "Ni", "Cu" ]

[ 20, 20, 20, 20, 20, 20, 20, 20, 29, 29, 29, 29, 28, 28, 28, 28 ]

16

3

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

{ "a": 6.9253997802734375, "b": 6.9253997802734375, "c": 6.9253997802734375, "alpha": 90, "beta": 90, "gamma": 90 }

225

Ca2CuNi

general_inorganic

false

null

external_cif_tar

tar:OQMD_444444

[ "Ca", "Cd", "Yb" ]

[ 20, 20, 20, 20, 20, 20, 20, 20, 70, 70, 70, 70, 48, 48, 48, 48 ]

16

3

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

{ "a": 7.962989807128906, "b": 7.962989807128906, "c": 7.962989807128906, "alpha": 90, "beta": 90, "gamma": 90 }

225

Ca2YbCd

general_inorganic

false

null

external_cif_tar

tar:OQMD_444460

[ "Ca", "Ti", "Er" ]

[ 20, 20, 20, 20, 20, 20, 20, 20, 68, 68, 68, 68, 22, 22, 22, 22 ]

16

3

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{ "a": 7.888844013214111, "b": 7.888844013214111, "c": 7.888844013214111, "alpha": 90, "beta": 90, "gamma": 90 }

225

Ca2ErTi

general_inorganic

false

null

external_cif_tar

tar:OQMD_444473

[ "Ca", "Te", "Pb" ]

[ 20, 20, 20, 20, 20, 20, 20, 20, 52, 52, 52, 52, 82, 82, 82, 82 ]

16

3

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{ "a": 7.8289642333984375, "b": 7.8289642333984375, "c": 7.8289642333984375, "alpha": 90, "beta": 90, "gamma": 90 }

225

Ca2TePb

general_inorganic

false

null

external_cif_tar

tar:OQMD_444489

[ "Ca", "Fe", "U" ]

[ 20, 20, 20, 20, 20, 20, 20, 20, 92, 92, 92, 92, 26, 26, 26, 26 ]

16

3

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{ "a": 7.519855976104736, "b": 7.519855976104736, "c": 7.519855976104736, "alpha": 90, "beta": 90, "gamma": 90 }

225

Ca2UFe

general_inorganic

false

null

external_cif_tar

tar:OQMD_444502

[ "Ca", "Sb", "Bi" ]

[ 20, 20, 20, 20, 20, 20, 20, 20, 83, 83, 83, 83, 51, 51, 51, 51 ]

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3

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{ "a": 7.826685905456543, "b": 7.826685905456543, "c": 7.826685905456543, "alpha": 90, "beta": 90, "gamma": 90 }

225

Ca2BiSb

general_inorganic

false

null

external_cif_tar

tar:OQMD_444523

[ "Mg", "Ca", "Pt" ]

[ 20, 20, 20, 20, 20, 20, 20, 20, 12, 12, 12, 12, 78, 78, 78, 78 ]

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3

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{ "a": 7.282283782958984, "b": 7.282283782958984, "c": 7.282283782958984, "alpha": 90, "beta": 90, "gamma": 90 }

225

Ca2MgPt

general_inorganic

false

null

external_cif_tar

tar:OQMD_444534

[ "Na", "Ca", "Hg" ]

[ 11, 11, 11, 11, 20, 20, 20, 20, 20, 20, 20, 20, 80, 80, 80, 80 ]

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225

NaCa2Hg

general_inorganic

false

null

external_cif_tar

tar:OQMD_444555

[ "Ca", "Ga", "Nb" ]

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225

Ca2NbGa

general_inorganic

false

null

external_cif_tar

tar:OQMD_444568

[ "Ca", "Sr", "La" ]

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225

SrCa2La

general_inorganic

false

null

external_cif_tar

tar:NOMAD_zgtc2-BgdyJf2fdE4fDABJu-ZBDI

[ "B", "Ca", "Y" ]

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225

Ca2YB

general_inorganic

false

null

external_cif_tar

tar:NOMAD_FJG5MNDtkEwT0BQ4By8j6Wk1Xh-2

[ "Ca", "Ge", "Sr" ]

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225

SrCa2Ge

general_inorganic

false

null

external_cif_tar

tar:OQMD_444612

[ "K", "Ca", "W" ]

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225

KCa2W

general_inorganic

false

null

external_cif_tar

tar:OQMD_444625

[ "Ca", "Pr", "Ho" ]

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225

Ca2PrHo

general_inorganic

false

null

external_cif_tar

tar:NOMAD_hLBMlRXpdtxECOnv7DzSslaeJVQ4

[ "K", "Ca", "Ti" ]

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225

KCa2Ti

general_inorganic

false

null

external_cif_tar

tar:OQMD_444654

[ "Ca", "Tm", "Re" ]

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225

Ca2TmRe

general_inorganic

false

null

external_cif_tar

tar:OQMD_444669

[ "Ca", "Y", "Ba" ]

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225

BaCa2Y

general_inorganic

false

null

external_cif_tar

tar:OQMD_444686

[ "Ca", "Tm", "Hf" ]

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225

Ca2TmHf

general_inorganic

false

null

external_cif_tar

tar:OQMD_444700

[ "B", "Ca", "Au" ]

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225

Ca2BAu

general_inorganic

false

null

external_cif_tar

tar:OQMD_444715

[ "Ca", "V", "Ac" ]

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225

Ca2AcV

general_inorganic

false

null

external_cif_tar

tar:OQMD_444733

[ "Ca", "Te", "Au" ]

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225

Ca2TeAu

general_inorganic

false

null

external_cif_tar

tar:OQMD_444758

[ "Ca", "V", "Ag" ]

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225

Ca2VAg

general_inorganic

false

null

external_cif_tar

tar:OQMD_444775

[ "Ca", "Lu", "Ac" ]

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225

Ca2AcLu

general_inorganic

false

null

external_cif_tar

tar:OQMD_444792

[ "Ca", "Rb", "Ir" ]

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225

RbCa2Ir

general_inorganic

false

null

external_cif_tar

tar:OQMD_444804

[ "Li", "Be", "Ca" ]

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225

LiCa2Be

general_inorganic

true

4

null

[ "li" ]

external_cif_tar

tar:OQMD_444816

[ "Ca", "Ti", "Tm" ]

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225

Ca2TmTi

general_inorganic

false

null

external_cif_tar

tar:OQMD_444831

[ "Be", "Ca", "Mn" ]

[ 20, 20, 20, 20, 20, 20, 20, 20, 25, 25, 25, 25, 4, 4, 4, 4 ]

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225

Ca2MnBe

general_inorganic

false

null

external_cif_tar

tar:OQMD_444849

[ "Ca", "Sr", "Gd" ]

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225

SrCa2Gd

general_inorganic

false

null

external_cif_tar

tar:OQMD_444885

[ "Ca", "Hf", "U" ]

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225

Ca2HfU

general_inorganic

false

null

external_cif_tar

tar:OQMD_444898

[ "Ca", "Ru", "Os" ]

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225

Ca2OsRu

general_inorganic

false

null

external_cif_tar

tar:OQMD_444924

[ "Ca", "Fe", "Cu" ]

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225

Ca2FeCu

general_inorganic

false

null

external_cif_tar

tar:OQMD_444938

[ "Al", "Ca", "Sm" ]

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225

Ca2SmAl

general_inorganic

false

null

external_cif_tar

tar:OQMD_444951

[ "Be", "Ca", "Hf" ]

[ 20, 20, 20, 20, 20, 20, 20, 20, 72, 72, 72, 72, 4, 4, 4, 4 ]

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225

Ca2HfBe

general_inorganic

false

null

external_cif_tar

tar:OQMD_444965

[ "Ca", "Fe", "Ta" ]

[ 20, 20, 20, 20, 20, 20, 20, 20, 73, 73, 73, 73, 26, 26, 26, 26 ]

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225

Ca2TaFe

general_inorganic

false

null

external_cif_tar

tar:OQMD_444982

[ "Ca", "Sc", "Sm" ]

[ 20, 20, 20, 20, 20, 20, 20, 20, 62, 62, 62, 62, 21, 21, 21, 21 ]

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225

Ca2SmSc

general_inorganic

false

null

external_cif_tar

tar:OQMD_444996

[ "Ca", "Cu", "Pu" ]

[ 20, 20, 20, 20, 20, 20, 20, 20, 94, 94, 94, 94, 29, 29, 29, 29 ]

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225

Ca2PuCu

general_inorganic

false

null

external_cif_tar

tar:NOMAD_iVgi-JgzF7MWMBk0Cbxkoeiedw_h

[ "B", "Na", "Ca" ]

[ 11, 11, 11, 11, 20, 20, 20, 20, 20, 20, 20, 20, 5, 5, 5, 5 ]

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225

NaCa2B

general_inorganic

false

null

external_cif_tar

tar:OQMD_445021

[ "Ca", "Sm", "Dy" ]

[ 20, 20, 20, 20, 20, 20, 20, 20, 62, 62, 62, 62, 66, 66, 66, 66 ]

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225

Ca2SmDy

general_inorganic

false

null

external_cif_tar

tar:OQMD_445043

[ "Ca", "Mo", "Gd" ]

[ 20, 20, 20, 20, 20, 20, 20, 20, 64, 64, 64, 64, 42, 42, 42, 42 ]

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3

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225

Ca2GdMo

general_inorganic

false

null

external_cif_tar

tar:NOMAD_HIXC5qm1GJr2FZsdg0vCOn1s_JJX

[ "Li", "As", "Yb" ]

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225

Li2YbAs

general_inorganic

true

8

null

[ "li" ]

external_cif_tar

tar:OQMD_445076

[ "Li", "Zn", "Pb" ]

[ 3, 3, 3, 3, 3, 3, 3, 3, 30, 30, 30, 30, 82, 82, 82, 82 ]

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3

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225

Li2ZnPb

general_inorganic

true

8

null

[ "li" ]

external_cif_tar

tar:OQMD_445109

[ "Li", "Gd", "Pu" ]

[ 3, 3, 3, 3, 3, 3, 3, 3, 64, 64, 64, 64, 94, 94, 94, 94 ]

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225

Li2GdPu

general_inorganic

true

8

null

[ "li" ]

external_cif_tar

tar:OQMD_445121

[ "Li", "Ti", "Ni" ]

[ 3, 3, 3, 3, 3, 3, 3, 3, 22, 22, 22, 22, 28, 28, 28, 28 ]

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225

Li2TiNi

general_inorganic

true

8

null

[ "li" ]

external_cif_tar

tar:NOMAD_qd9nvnWwsWWXs3bCAdQ8jBYOXgeF

[ "Li", "Ge", "Th" ]

[ 3, 3, 3, 3, 3, 3, 3, 3, 90, 90, 90, 90, 32, 32, 32, 32 ]

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3

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225

Li2ThGe

general_inorganic

true

8

null

[ "li" ]

external_cif_tar

tar:OQMD_445163

[ "Li", "Co", "Rb" ]

[ 37, 37, 37, 37, 3, 3, 3, 3, 3, 3, 3, 3, 27, 27, 27, 27 ]

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3

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225

RbLi2Co

general_inorganic

true

8

null

[ "li" ]

external_cif_tar

tar:OQMD_445181

[ "Li", "Rh", "Nd" ]

[ 3, 3, 3, 3, 3, 3, 3, 3, 60, 60, 60, 60, 45, 45, 45, 45 ]

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3

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225

Li2NdRh

general_inorganic

true

8

null

[ "li" ]

external_cif_tar

tar:NOMAD_7q5jcS1oApaM9zBT95e2A5NNX7kV

[ "Li", "Mn", "Ga" ]

[ 3, 3, 3, 3, 3, 3, 3, 3, 25, 25, 25, 25, 31, 31, 31, 31 ]

16

3

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225

Li2MnGa

general_inorganic

true

8

null

[ "li" ]

external_cif_tar

tar:NOMAD_kD13RJUqxzYrlXv8A0y6gsAvvgA_

[ "Li", "Rb", "Eu" ]

[ 37, 37, 37, 37, 3, 3, 3, 3, 3, 3, 3, 3, 63, 63, 63, 63 ]

16

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225

RbLi2Eu

general_inorganic

true

8

null

[ "li" ]

external_cif_tar

tar:OQMD_445231

[ "Li", "Na", "Dy" ]

[ 11, 11, 11, 11, 3, 3, 3, 3, 3, 3, 3, 3, 66, 66, 66, 66 ]

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225

NaLi2Dy

general_inorganic

true

8

null

[ "li" ]

external_cif_tar

tar:OQMD_445272

[ "Li", "Tc", "W" ]

[ 3, 3, 3, 3, 3, 3, 3, 3, 43, 43, 43, 43, 74, 74, 74, 74 ]

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225

Li2TcW

general_inorganic

true

8

null

[ "li" ]

external_cif_tar

tar:OQMD_445289

[ "Li", "Cr", "Rh" ]

[ 3, 3, 3, 3, 3, 3, 3, 3, 24, 24, 24, 24, 45, 45, 45, 45 ]

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225

Li2CrRh

general_inorganic

true

8

null

[ "li" ]

external_cif_tar

tar:OQMD_445309

[ "Li", "Cr", "Ta" ]

[ 3, 3, 3, 3, 3, 3, 3, 3, 73, 73, 73, 73, 24, 24, 24, 24 ]

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225

Li2TaCr

general_inorganic

true

8

null

[ "li" ]

external_cif_tar

tar:OQMD_445324

[ "Li", "Sc", "Ba" ]

[ 56, 56, 56, 56, 3, 3, 3, 3, 3, 3, 3, 3, 21, 21, 21, 21 ]

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225

BaLi2Sc

general_inorganic

true

8

null

[ "li" ]

external_cif_tar

tar:OQMD_445339

[ "Li", "V", "Ho" ]

[ 3, 3, 3, 3, 3, 3, 3, 3, 67, 67, 67, 67, 23, 23, 23, 23 ]

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225

Li2HoV

general_inorganic

true

8

null

[ "li" ]

external_cif_tar

tar:OQMD_445354

[ "Li", "Zr", "Pt" ]

[ 3, 3, 3, 3, 3, 3, 3, 3, 40, 40, 40, 40, 78, 78, 78, 78 ]

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225

Li2ZrPt

general_inorganic

true

8

null

[ "li" ]

external_cif_tar

tar:OQMD_445371

[ "Li", "Co", "Zn" ]

[ 3, 3, 3, 3, 3, 3, 3, 3, 30, 30, 30, 30, 27, 27, 27, 27 ]

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3

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225

Li2ZnCo

general_inorganic

true

8

null

[ "li" ]

external_cif_tar

tar:OQMD_445391

[ "Li", "Pm", "Pa" ]

[ 3, 3, 3, 3, 3, 3, 3, 3, 61, 61, 61, 61, 91, 91, 91, 91 ]

16

3

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225

Li2PmPa

general_inorganic

true

8

null

[ "li" ]

external_cif_tar

tar:NOMAD_uoryTeKKSG6QcVM_J8p7SOwl_PNW

[ "Li", "Nb", "Th" ]

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16

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225

Li2ThNb

general_inorganic

true

8

null

[ "li" ]

external_cif_tar

tar:OQMD_445424

[ "Li", "Ho", "Au" ]

[ 3, 3, 3, 3, 3, 3, 3, 3, 67, 67, 67, 67, 79, 79, 79, 79 ]

16

3

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225

Li2HoAu

general_inorganic

true

8

null

[ "li" ]

external_cif_tar

tar:NOMAD_3MzaPiwWdhsFPNa3khnoNmpRYCOg

[ "Li", "La", "Ho" ]

[ 3, 3, 3, 3, 3, 3, 3, 3, 57, 57, 57, 57, 67, 67, 67, 67 ]

16

3

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225

Li2LaHo

general_inorganic

true

8

null

[ "li" ]

external_cif_tar

tar:OQMD_445459

[ "Li", "Gd", "Hf" ]

[ 3, 3, 3, 3, 3, 3, 3, 3, 64, 64, 64, 64, 72, 72, 72, 72 ]

16

3

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225

Li2GdHf

general_inorganic

true

8

null

[ "li" ]

external_cif_tar

tar:OQMD_445474

[ "Li", "Rh", "Pd" ]

[ 3, 3, 3, 3, 3, 3, 3, 3, 46, 46, 46, 46, 45, 45, 45, 45 ]

16

3

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225

Li2PdRh

general_inorganic

true

8

null

[ "li" ]

external_cif_tar

tar:OQMD_445490

[ "Li", "Co", "Hf" ]

[ 3, 3, 3, 3, 3, 3, 3, 3, 72, 72, 72, 72, 27, 27, 27, 27 ]

16

3

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225

Li2HfCo

general_inorganic

true

8

null

[ "li" ]

external_cif_tar

tar:OQMD_445505

[ "Li", "Sc", "Tm" ]

[ 3, 3, 3, 3, 3, 3, 3, 3, 69, 69, 69, 69, 21, 21, 21, 21 ]

16

3

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225

Li2TmSc

general_inorganic

true

8

null

[ "li" ]

external_cif_tar

tar:NOMAD_0aWYcuprg9wsTIbaf3lZhX08KhBP

[ "Li", "Gd", "Pt" ]

[ 3, 3, 3, 3, 3, 3, 3, 3, 64, 64, 64, 64, 78, 78, 78, 78 ]

16

3

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225

Li2GdPt

general_inorganic

true

8

null

[ "li" ]

external_cif_tar

tar:OQMD_445536

[ "Li", "Al", "As" ]

[ 3, 3, 3, 3, 3, 3, 3, 3, 13, 13, 13, 13, 33, 33, 33, 33 ]

16

3

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225

Li2AlAs

general_inorganic

true

8

null

[ "li" ]

external_cif_tar

tar:OQMD_445555

[ "Li", "Zr", "Th" ]

[ 3, 3, 3, 3, 3, 3, 3, 3, 90, 90, 90, 90, 40, 40, 40, 40 ]

16

3

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225

Li2ThZr

general_inorganic

true

8

null

[ "li" ]

external_cif_tar

tar:OQMD_445572

[ "Li", "Na", "Rb" ]

[ 37, 37, 37, 37, 11, 11, 11, 11, 3, 3, 3, 3, 3, 3, 3, 3 ]

16

3

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225

RbNaLi2

general_inorganic

true

8

null

[ "li" ]

external_cif_tar

tar:OQMD_445587

[ "Li", "Mn", "Fe" ]

[ 3, 3, 3, 3, 3, 3, 3, 3, 25, 25, 25, 25, 26, 26, 26, 26 ]

16

3

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225

Li2MnFe

general_inorganic

true

8

null

[ "li" ]

external_cif_tar

tar:NOMAD_5QhQax24i7e-65TDYGN22UdM-4AD

[ "Li", "Ca", "Er" ]

[ 3, 3, 3, 3, 3, 3, 3, 3, 20, 20, 20, 20, 68, 68, 68, 68 ]

16

3

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225

Li2CaEr

general_inorganic

true

8

null

[ "li" ]

external_cif_tar

tar:OQMD_445618

[ "Li", "Tc", "Er" ]

[ 3, 3, 3, 3, 3, 3, 3, 3, 68, 68, 68, 68, 43, 43, 43, 43 ]

16

3

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225

Li2ErTc

general_inorganic

true

8

null

[ "li" ]

external_cif_tar

tar:NOMAD_7GvvfgYpiar47k7LyfqBGywekZZK

[ "Li", "Ho", "Pt" ]

[ 3, 3, 3, 3, 3, 3, 3, 3, 67, 67, 67, 67, 78, 78, 78, 78 ]

16

3

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225

Li2HoPt

general_inorganic

true

8

null

[ "li" ]

external_cif_tar

tar:NOMAD_tjAbBaybxE_YV9qXhuBh_iG0ByDX

[ "Li", "Tm", "Pb" ]

[ 3, 3, 3, 3, 3, 3, 3, 3, 69, 69, 69, 69, 82, 82, 82, 82 ]

16

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225

Li2TmPb

general_inorganic

true

8

null

[ "li" ]

external_cif_tar

tar:OQMD_445668

[ "Li", "Si", "Sc" ]

[ 3, 3, 3, 3, 3, 3, 3, 3, 21, 21, 21, 21, 14, 14, 14, 14 ]

16

3

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225

Li2ScSi

electrolyte_relevant

true

8

null

[ "li", "electrolyte_candidate" ]

external_cif_tar

tar:OQMD_445682

[ "Li", "Mo", "Lu" ]

[ 3, 3, 3, 3, 3, 3, 3, 3, 71, 71, 71, 71, 42, 42, 42, 42 ]

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225

Li2LuMo

general_inorganic

true

8

null

[ "li" ]

external_cif_tar

tar:OQMD_445703

[ "Li", "Na", "Ga" ]

[ 11, 11, 11, 11, 3, 3, 3, 3, 3, 3, 3, 3, 31, 31, 31, 31 ]

16

3

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225

NaLi2Ga

general_inorganic

true

8

null

[ "li" ]

external_cif_tar

tar:OQMD_445714

[ "Li", "Ca", "Ag" ]

[ 3, 3, 3, 3, 3, 3, 3, 3, 20, 20, 20, 20, 47, 47, 47, 47 ]

16

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{ "a": 6.883984088897705, "b": 6.883984088897705, "c": 6.883984088897705, "alpha": 90, "beta": 90, "gamma": 90 }

225

Li2CaAg

general_inorganic

true

8

null

[ "li" ]

external_cif_tar

tar:OQMD_445726

[ "Li", "Na", "Tc" ]

[ 11, 11, 11, 11, 3, 3, 3, 3, 3, 3, 3, 3, 43, 43, 43, 43 ]

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225

NaLi2Tc

general_inorganic

true

8

null

[ "li" ]

external_cif_tar

tar:NOMAD_Owl64G4Juh0G-XHQHr50BY_piWYa

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225

Li2BMo

general_inorganic

true

8

null

[ "li" ]

external_cif_tar

tar:OQMD_445756

[ "Li", "V", "Cr" ]

[ 3, 3, 3, 3, 3, 3, 3, 3, 23, 23, 23, 23, 24, 24, 24, 24 ]

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225

Li2VCr

general_inorganic

true

8

null

[ "li" ]

external_cif_tar

tar:OQMD_445775

[ "Li", "Ir", "Pa" ]

[ 3, 3, 3, 3, 3, 3, 3, 3, 91, 91, 91, 91, 77, 77, 77, 77 ]

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225

Li2PaIr

general_inorganic

true

8

null

[ "li" ]

external_cif_tar

tar:OQMD_445790

[ "Li", "Cu", "Ta" ]

[ 3, 3, 3, 3, 3, 3, 3, 3, 73, 73, 73, 73, 29, 29, 29, 29 ]

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3

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225

Li2TaCu

general_inorganic

true

8

null

[ "li" ]

external_cif_tar

tar:OQMD_445811

[ "Li", "V", "Cu" ]

[ 3, 3, 3, 3, 3, 3, 3, 3, 23, 23, 23, 23, 29, 29, 29, 29 ]

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3

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225

Li2VCu

general_inorganic

true

8

null

[ "li" ]

external_cif_tar

tar:NOMAD_63cyOf_a-osgf-KP-GDVL1JBMbDc

[ "Li", "Bi", "Pa" ]

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3

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225

Li2PaBi

general_inorganic

true

8

null

[ "li" ]

external_cif_tar

tar:OQMD_445854

[ "Li", "Tc", "Tb" ]

[ 3, 3, 3, 3, 3, 3, 3, 3, 65, 65, 65, 65, 43, 43, 43, 43 ]

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3

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225

Li2TbTc

general_inorganic

true

8

null

[ "li" ]

external_cif_tar

tar:OQMD_445872

[ "Li", "Eu", "Tm" ]

[ 3, 3, 3, 3, 3, 3, 3, 3, 63, 63, 63, 63, 69, 69, 69, 69 ]

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3

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225

Li2EuTm

general_inorganic

true

8

null

[ "li" ]

external_cif_tar

tar:OQMD_445886

[ "Li", "Ru", "Bi" ]

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3

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225

Li2BiRu

general_inorganic

true

8

null

[ "li" ]

external_cif_tar

tar:OQMD_445897

[ "Li", "Rh", "Tm" ]

[ 3, 3, 3, 3, 3, 3, 3, 3, 69, 69, 69, 69, 45, 45, 45, 45 ]

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3

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225

Li2TmRh

general_inorganic

true

8

null

[ "li" ]

external_cif_tar

tar:OQMD_445910

[ "Li", "Ga", "W" ]

[ 3, 3, 3, 3, 3, 3, 3, 3, 31, 31, 31, 31, 74, 74, 74, 74 ]

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3

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225

Li2GaW

general_inorganic

true

8

null

[ "li" ]

external_cif_tar

tar:OQMD_445923

[ "Li", "Y", "Ir" ]

[ 3, 3, 3, 3, 3, 3, 3, 3, 39, 39, 39, 39, 77, 77, 77, 77 ]

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3

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225

Li2YIr

general_inorganic

true

8

null

[ "li" ]

external_cif_tar

tar:NOMAD_ESLRJT677YR4B03xIHL_fs9k3sKd

[ "Li", "Ru", "Gd" ]

[ 3, 3, 3, 3, 3, 3, 3, 3, 64, 64, 64, 64, 44, 44, 44, 44 ]

16

3

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225

Li2GdRu

general_inorganic

true

8

null

[ "li" ]

external_cif_tar

tar:NOMAD_2a23FiQP5Kn3LMKD94AadN6c7UCm

[ "Li", "Ni", "Pa" ]

[ 3, 3, 3, 3, 3, 3, 3, 3, 91, 91, 91, 91, 28, 28, 28, 28 ]

16

3

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225

Li2PaNi

general_inorganic

true

8

null

[ "li" ]

external_cif_tar

tar:OQMD_445974

[ "Li", "Mg", "Y" ]

[ 3, 3, 3, 3, 3, 3, 3, 3, 39, 39, 39, 39, 12, 12, 12, 12 ]

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3

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225

Li2YMg

general_inorganic

true

8

null

[ "li" ]

external_cif_tar

tar:OQMD_445989

[ "Li", "Sr", "Eu" ]

[ 38, 38, 38, 38, 3, 3, 3, 3, 3, 3, 3, 3, 63, 63, 63, 63 ]

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225

SrLi2Eu

general_inorganic

true

8

null

[ "li" ]

external_cif_tar

tar:NOMAD_jKo5uP1r-6-X9nDCgb8vkOZwL1xK

[ "Li", "Zr", "Pa" ]

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225

Li2ZrPa

general_inorganic

true

8

null

[ "li" ]

external_cif_tar

tar:NOMAD_UPQqBfmAd-iIus2LiIcEWhxti_Ii

[ "Li", "Bi", "Np" ]

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225

Li2NpBi

general_inorganic

true

8

null

[ "li" ]

external_cif_tar

tar:NOMAD_RgG7KK-8pwz5fPODtQ4L342ny1-b

[ "Li", "Mo", "Pa" ]

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225

Li2PaMo

general_inorganic

true

8

null

[ "li" ]

external_cif_tar

tar:OQMD_446056

[ "Li", "Mo", "Pb" ]

[ 3, 3, 3, 3, 3, 3, 3, 3, 42, 42, 42, 42, 82, 82, 82, 82 ]

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225

Li2MoPb

general_inorganic

true

8

null

[ "li" ]

external_cif_tar

tar:OQMD_446069

[ "Li", "Tc", "Au" ]

[ 3, 3, 3, 3, 3, 3, 3, 3, 43, 43, 43, 43, 79, 79, 79, 79 ]

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225

Li2TcAu

general_inorganic

true

8

null

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external_cif_tar