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_442728	[ "Ca", "Tb", "Au" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 65, 65, 65, 65, 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": 7.616878032684326, "b": 7.616878032684326, "c": 7.616878032684326, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2TbAu	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_442743	[ "B", "Ca", "Sn" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 50, 50, 50, 50, 5, 5, 5, 5 ]	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": 7.238796234130859, "b": 7.238796234130859, "c": 7.238796234130859, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2SnB	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_442757	[ "Ca", "Rb", "Tc" ]	[ 37, 37, 37, 37, 20, 20, 20, 20, 20, 20, 20, 20, 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": 7.91906213760376, "b": 7.91906213760376, "c": 7.91906213760376, "alpha": 90, "beta": 90, "gamma": 90 }	225	RbCa2Tc	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_442772	[ "Ca", "Ni", "Te" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 28, 28, 28, 28, 52, 52, 52, 52 ]	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": 7.32611608505249, "b": 7.32611608505249, "c": 7.32611608505249, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2NiTe	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_442782	[ "Al", "Ca", "Pr" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 59, 59, 59, 59, 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": 7.917322158813477, "b": 7.917322158813477, "c": 7.917322158813477, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2PrAl	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_442793	[ "Ca", "Zr", "Pt" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 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": 7.2667341232299805, "b": 7.2667341232299805, "c": 7.2667341232299805, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2ZrPt	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_442811	[ "Ca", "Cs", "Pa" ]	[ 55, 55, 55, 55, 20, 20, 20, 20, 20, 20, 20, 20, 91, 91, 91, 91 ]	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": 8.987480163574219, "b": 8.987480163574219, "c": 8.987480163574219, "alpha": 90, "beta": 90, "gamma": 90 }	225	CsCa2Pa	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_442826	[ "Al", "Ca", "Au" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 13, 13, 13, 13, 79, 79, 79, 79 ]	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": 7.347087860107422, "b": 7.347087860107422, "c": 7.347087860107422, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2AlAu	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_442846	[ "Ca", "Au", "Ac" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 89, 89, 89, 89, 79, 79, 79, 79 ]	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": 7.863009929656982, "b": 7.863009929656982, "c": 7.863009929656982, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2AcAu	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_442859	[ "Ca", "Co", "La" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 57, 57, 57, 57, 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": 7.461487770080566, "b": 7.461487770080566, "c": 7.461487770080566, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2LaCo	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_442873	[ "Ca", "Ho", "Th" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 67, 67, 67, 67, 90, 90, 90, 90 ]	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": 8.245962142944336, "b": 8.245962142944336, "c": 8.245962142944336, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2HoTh	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_442889	[ "Ca", "Ba", "Tb" ]	[ 56, 56, 56, 56, 20, 20, 20, 20, 20, 20, 20, 20, 65, 65, 65, 65 ]	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": 8.776665687561035, "b": 8.776665687561035, "c": 8.776665687561035, "alpha": 90, "beta": 90, "gamma": 90 }	225	BaCa2Tb	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_442924	[ "K", "Ca", "Nd" ]	[ 19, 19, 19, 19, 20, 20, 20, 20, 20, 20, 20, 20, 60, 60, 60, 60 ]	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": 8.9065523147583, "b": 8.9065523147583, "c": 8.9065523147583, "alpha": 90, "beta": 90, "gamma": 90 }	225	KCa2Nd	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_442940	[ "Ca", "Mn", "Pd" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 25, 25, 25, 25, 46, 46, 46, 46 ]	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": 7.149898052215576, "b": 7.149898052215576, "c": 7.149898052215576, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2MnPd	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_442955	[ "Na", "Ca", "Yb" ]	[ 11, 11, 11, 11, 20, 20, 20, 20, 20, 20, 20, 20, 70, 70, 70, 70 ]	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": 8.539759635925293, "b": 8.539759635925293, "c": 8.539759635925293, "alpha": 90, "beta": 90, "gamma": 90 }	225	NaCa2Yb	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_442973	[ "K", "Ca", "Hf" ]	[ 19, 19, 19, 19, 20, 20, 20, 20, 20, 20, 20, 20, 72, 72, 72, 72 ]	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": 8.342355728149414, "b": 8.342355728149414, "c": 8.342355728149414, "alpha": 90, "beta": 90, "gamma": 90 }	225	KCa2Hf	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_442991	[ "Ca", "La", "Nd" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 57, 57, 57, 57, 60, 60, 60, 60 ]	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": 8.502593994140625, "b": 8.502593994140625, "c": 8.502593994140625, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2LaNd	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_443010	[ "Na", "Ca", "Rb" ]	[ 37, 37, 37, 37, 11, 11, 11, 11, 20, 20, 20, 20, 20, 20, 20, 20 ]	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": 9.039117813110352, "b": 9.039117813110352, "c": 9.039117813110352, "alpha": 90, "beta": 90, "gamma": 90 }	225	RbNaCa2	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_443027	[ "Ca", "Cd", "Th" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 90, 90, 90, 90, 48, 48, 48, 48 ]	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": 8.023815155029297, "b": 8.023815155029297, "c": 8.023815155029297, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2ThCd	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_443042	[ "Ca", "Tc", "Sn" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 43, 43, 43, 43, 50, 50, 50, 50 ]	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": 7.2502899169921875, "b": 7.2502899169921875, "c": 7.2502899169921875, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2TcSn	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_443055	[ "Ca", "Ge", "Pr" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 59, 59, 59, 59, 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": 7.726573944091797, "b": 7.726573944091797, "c": 7.726573944091797, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2PrGe	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_443072	[ "Li", "Ca", "Sn" ]	[ 3, 3, 3, 3, 20, 20, 20, 20, 20, 20, 20, 20, 50, 50, 50, 50 ]	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": 7.6004438400268555, "b": 7.6004438400268555, "c": 7.6004438400268555, "alpha": 90, "beta": 90, "gamma": 90 }	225	LiCa2Sn	general_inorganic	true	4	null	null	null	null	[ "li" ]	external_cif_tar
tar:OQMD_443087	[ "Be", "Ca", "Hg" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 4, 4, 4, 4, 80, 80, 80, 80 ]	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": 7.342628002166748, "b": 7.342628002166748, "c": 7.342628002166748, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2BeHg	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_443106	[ "Si", "Ca", "Sc" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 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": 7.423140048980713, "b": 7.423140048980713, "c": 7.423140048980713, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2ScSi	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_443139	[ "Ca", "Rh", "Sn" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 50, 50, 50, 50, 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": 7.260389804840088, "b": 7.260389804840088, "c": 7.260389804840088, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2SnRh	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_443158	[ "Be", "K", "Ca" ]	[ 19, 19, 19, 19, 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": 7.953025817871094, "b": 7.953025817871094, "c": 7.953025817871094, "alpha": 90, "beta": 90, "gamma": 90 }	225	KCa2Be	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_443175	[ "Ca", "Eu", "Hg" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 63, 63, 63, 63, 80, 80, 80, 80 ]	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": 7.890624046325684, "b": 7.890624046325684, "c": 7.890624046325684, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2EuHg	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_443190	[ "Si", "Ca", "Cs" ]	[ 55, 55, 55, 55, 20, 20, 20, 20, 20, 20, 20, 20, 14, 14, 14, 14 ]	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": 7.879042148590088, "b": 7.879042148590088, "c": 7.879042148590088, "alpha": 90, "beta": 90, "gamma": 90 }	225	CsCa2Si	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_443204	[ "Ca", "Cu", "As" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 29, 29, 29, 29, 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": 7.118559837341309, "b": 7.118559837341309, "c": 7.118559837341309, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2CuAs	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_443222	[ "Ca", "Rh", "Pb" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 45, 45, 45, 45, 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": 7.309730052947998, "b": 7.309730052947998, "c": 7.309730052947998, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2RhPb	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_oag082r4FT7vvdqNNZbAVYtXrmEZ	[ "B", "Ca", "Fe" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 26, 26, 26, 26, 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": 6.659379482269287, "b": 6.659379482269287, "c": 6.659379482269287, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2FeB	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_443252	[ "Ca", "Sr", "Tc" ]	[ 38, 38, 38, 38, 20, 20, 20, 20, 20, 20, 20, 20, 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": 7.709649085998535, "b": 7.709649085998535, "c": 7.709649085998535, "alpha": 90, "beta": 90, "gamma": 90 }	225	SrCa2Tc	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_443269	[ "Li", "K", "Ca" ]	[ 19, 19, 19, 19, 3, 3, 3, 3, 20, 20, 20, 20, 20, 20, 20, 20 ]	16	3	[ [ 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 ], [ 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 ] ]	{ "a": 8.638172149658203, "b": 8.638172149658203, "c": 8.638172149658203, "alpha": 90, "beta": 90, "gamma": 90 }	225	KLiCa2	general_inorganic	true	4	null	null	null	null	[ "li" ]	external_cif_tar
tar:OQMD_443282	[ "Ca", "Cr", "In" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 24, 24, 24, 24, 49, 49, 49, 49 ]	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": 7.517940044403076, "b": 7.517940044403076, "c": 7.517940044403076, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2CrIn	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_443302	[ "Ca", "Nd", "Ho" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 60, 60, 60, 60, 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": 8.319487571716309, "b": 8.319487571716309, "c": 8.319487571716309, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2NdHo	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_443319	[ "Ca", "Cr", "Tm" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 69, 69, 69, 69, 24, 24, 24, 24 ]	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": 7.791747093200684, "b": 7.791747093200684, "c": 7.791747093200684, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2TmCr	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_443336	[ "Ca", "Ni", "Ta" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 73, 73, 73, 73, 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": 7.193880081176758, "b": 7.193880081176758, "c": 7.193880081176758, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2TaNi	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_443352	[ "Ca", "As", "Hf" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 72, 72, 72, 72, 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": 7.454237937927246, "b": 7.454237937927246, "c": 7.454237937927246, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2HfAs	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_443386	[ "Si", "Ca", "Pm" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 61, 61, 61, 61, 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": 7.684507846832275, "b": 7.684507846832275, "c": 7.684507846832275, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2PmSi	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_Sr80ouehaXeAfdTXm6UZS070O0iX	[ "Ca", "Sr", "Y" ]	[ 38, 38, 38, 38, 20, 20, 20, 20, 20, 20, 20, 20, 39, 39, 39, 39 ]	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": 8.666938781738281, "b": 8.666938781738281, "c": 8.666938781738281, "alpha": 90, "beta": 90, "gamma": 90 }	225	SrCa2Y	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_443418	[ "Ca", "Sc", "Ho" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 67, 67, 67, 67, 21, 21, 21, 21 ]	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": 8.009557723999023, "b": 8.009557723999023, "c": 8.009557723999023, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2HoSc	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_443438	[ "Ca", "Nb", "Ce" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 58, 58, 58, 58, 41, 41, 41, 41 ]	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": 8.116333961486816, "b": 8.116333961486816, "c": 8.116333961486816, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2CeNb	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_443455	[ "K", "Ca", "Cd" ]	[ 19, 19, 19, 19, 20, 20, 20, 20, 20, 20, 20, 20, 48, 48, 48, 48 ]	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": 8.219366073608398, "b": 8.219366073608398, "c": 8.219366073608398, "alpha": 90, "beta": 90, "gamma": 90 }	225	KCa2Cd	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_Mx9K4ro8B2EQLgIMje6UC9iRaT0Y	[ "Ca", "Y", "Sb" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 39, 39, 39, 39, 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": 7.908071517944336, "b": 7.908071517944336, "c": 7.908071517944336, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2YSb	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_443484	[ "Be", "Ca", "Ir" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 4, 4, 4, 4, 77, 77, 77, 77 ]	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": 6.892710208892822, "b": 6.892710208892822, "c": 6.892710208892822, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2BeIr	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_443495	[ "Ca", "Tc", "Ce" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 58, 58, 58, 58, 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": 7.5301618576049805, "b": 7.5301618576049805, "c": 7.5301618576049805, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2CeTc	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_443514	[ "Ca", "Sn", "Ho" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 67, 67, 67, 67, 50, 50, 50, 50 ]	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": 7.8703999519348145, "b": 7.8703999519348145, "c": 7.8703999519348145, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2HoSn	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_kEs2m4VBO9XjU953SWBurPRmFPhD	[ "Ca", "Fe", "Au" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 26, 26, 26, 26, 79, 79, 79, 79 ]	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": 7.092330455780029, "b": 7.092330455780029, "c": 7.092330455780029, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2FeAu	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_443552	[ "Ca", "Zr", "In" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 40, 40, 40, 40, 49, 49, 49, 49 ]	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": 7.71262788772583, "b": 7.71262788772583, "c": 7.71262788772583, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2ZrIn	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_443571	[ "Ca", "Cr", "Zn" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 30, 30, 30, 30, 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": 7.400186061859131, "b": 7.400186061859131, "c": 7.400186061859131, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2ZnCr	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_443582	[ "Be", "Ca", "Tc" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 4, 4, 4, 4, 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": 7.013045787811279, "b": 7.013045787811279, "c": 7.013045787811279, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2BeTc	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_443595	[ "Ca", "Gd", "Tl" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 64, 64, 64, 64, 81, 81, 81, 81 ]	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": 7.9456658363342285, "b": 7.9456658363342285, "c": 7.9456658363342285, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2GdTl	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_443608	[ "Ca", "Tb", "Ir" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 65, 65, 65, 65, 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": 7.312014102935791, "b": 7.312014102935791, "c": 7.312014102935791, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2TbIr	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_443629	[ "Ca", "Ho", "Tl" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 67, 67, 67, 67, 81, 81, 81, 81 ]	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": 7.903865814208984, "b": 7.903865814208984, "c": 7.903865814208984, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2HoTl	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_443645	[ "Ca", "Ag", "Ba" ]	[ 56, 56, 56, 56, 20, 20, 20, 20, 20, 20, 20, 20, 47, 47, 47, 47 ]	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": 8.074370384216309, "b": 8.074370384216309, "c": 8.074370384216309, "alpha": 90, "beta": 90, "gamma": 90 }	225	BaCa2Ag	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_443663	[ "Ca", "Sm", "Tl" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 62, 62, 62, 62, 81, 81, 81, 81 ]	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": 7.967115879058838, "b": 7.967115879058838, "c": 7.967115879058838, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2SmTl	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_443680	[ "Ca", "Pr", "Bi" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 59, 59, 59, 59, 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": 8.046708106994629, "b": 8.046708106994629, "c": 8.046708106994629, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2PrBi	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_443697	[ "Ca", "Cs", "Tm" ]	[ 55, 55, 55, 55, 20, 20, 20, 20, 20, 20, 20, 20, 69, 69, 69, 69 ]	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": 8.998403549194336, "b": 8.998403549194336, "c": 8.998403549194336, "alpha": 90, "beta": 90, "gamma": 90 }	225	CsCa2Tm	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_fdzHFN2geKrkxdUmODhjuRhxIcN8	[ "Ca", "Pd", "La" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 57, 57, 57, 57, 46, 46, 46, 46 ]	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": 7.656116962432861, "b": 7.656116962432861, "c": 7.656116962432861, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2LaPd	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_443727	[ "Ca", "V", "Te" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 23, 23, 23, 23, 52, 52, 52, 52 ]	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": 7.63647985458374, "b": 7.63647985458374, "c": 7.63647985458374, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2VTe	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_443747	[ "Al", "Ca", "Tl" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 13, 13, 13, 13, 81, 81, 81, 81 ]	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": 7.566939830780029, "b": 7.566939830780029, "c": 7.566939830780029, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2AlTl	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_443762	[ "Ca", "Yb", "Lu" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 70, 70, 70, 70, 71, 71, 71, 71 ]	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": 8.368632316589355, "b": 8.368632316589355, "c": 8.368632316589355, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2YbLu	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_443781	[ "Mg", "Ca", "W" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 12, 12, 12, 12, 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": 7.456999778747559, "b": 7.456999778747559, "c": 7.456999778747559, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2MgW	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_443795	[ "Ca", "Lu", "Np" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 71, 71, 71, 71, 93, 93, 93, 93 ]	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": 8.178181648254395, "b": 8.178181648254395, "c": 8.178181648254395, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2LuNp	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_443809	[ "Ca", "Ga", "Re" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 31, 31, 31, 31, 75, 75, 75, 75 ]	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": 7.095890045166016, "b": 7.095890045166016, "c": 7.095890045166016, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2GaRe	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_443824	[ "Ca", "In", "Sn" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 49, 49, 49, 49, 50, 50, 50, 50 ]	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": 7.662886142730713, "b": 7.662886142730713, "c": 7.662886142730713, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2InSn	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_443838	[ "Be", "Ca", "Sr" ]	[ 38, 38, 38, 38, 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": 7.966494083404541, "b": 7.966494083404541, "c": 7.966494083404541, "alpha": 90, "beta": 90, "gamma": 90 }	225	SrCa2Be	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_443850	[ "Ca", "Ti", "Sb" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 22, 22, 22, 22, 51, 51, 51, 51 ]	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": 7.555731773376465, "b": 7.555731773376465, "c": 7.555731773376465, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2TiSb	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_443865	[ "Ca", "Nb", "Pd" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 41, 41, 41, 41, 46, 46, 46, 46 ]	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": 7.27042818069458, "b": 7.27042818069458, "c": 7.27042818069458, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2NbPd	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_443896	[ "Ca", "Rb", "Mo" ]	[ 37, 37, 37, 37, 20, 20, 20, 20, 20, 20, 20, 20, 42, 42, 42, 42 ]	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": 8.202752113342285, "b": 8.202752113342285, "c": 8.202752113342285, "alpha": 90, "beta": 90, "gamma": 90 }	225	RbCa2Mo	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_443916	[ "Ca", "Fe", "Ho" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 67, 67, 67, 67, 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": 7.434773921966553, "b": 7.434773921966553, "c": 7.434773921966553, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2HoFe	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_443936	[ "Ca", "Mo", "Hg" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 80, 80, 80, 80, 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": 7.388686180114746, "b": 7.388686180114746, "c": 7.388686180114746, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2HgMo	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_443950	[ "Al", "Si", "Ca" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 13, 13, 13, 13, 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": 7.279315948486328, "b": 7.279315948486328, "c": 7.279315948486328, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2AlSi	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:NOMAD_j6dVGtqiqXAX6yTdXDOd_wblm1tN	[ "Al", "Ca", "Y" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 39, 39, 39, 39, 13, 13, 13, 13 ]	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": 7.8324151039123535, "b": 7.8324151039123535, "c": 7.8324151039123535, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2YAl	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_443979	[ "Be", "Ca", "Nd" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 60, 60, 60, 60, 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": 7.772183895111084, "b": 7.772183895111084, "c": 7.772183895111084, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2NdBe	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_443996	[ "Ca", "Fe", "Ac" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 89, 89, 89, 89, 26, 26, 26, 26 ]	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": 7.704758167266846, "b": 7.704758167266846, "c": 7.704758167266846, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2AcFe	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_444010	[ "Ca", "Rh", "Lu" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 71, 71, 71, 71, 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": 7.382483959197998, "b": 7.382483959197998, "c": 7.382483959197998, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2LuRh	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_444027	[ "Ca", "Te", "Ir" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 52, 52, 52, 52, 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": 7.261382102966309, "b": 7.261382102966309, "c": 7.261382102966309, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2TeIr	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_444051	[ "Ca", "Hf", "Bi" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 72, 72, 72, 72, 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": 7.763405799865723, "b": 7.763405799865723, "c": 7.763405799865723, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2HfBi	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_444070	[ "Ca", "Lu", "Pa" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 71, 71, 71, 71, 91, 91, 91, 91 ]	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": 8.09932804107666, "b": 8.09932804107666, "c": 8.09932804107666, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2LuPa	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_444087	[ "Na", "Ca", "Cu" ]	[ 11, 11, 11, 11, 20, 20, 20, 20, 20, 20, 20, 20, 29, 29, 29, 29 ]	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": 7.5794219970703125, "b": 7.5794219970703125, "c": 7.5794219970703125, "alpha": 90, "beta": 90, "gamma": 90 }	225	NaCa2Cu	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_444102	[ "Ca", "Eu", "Pt" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 63, 63, 63, 63, 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": 7.42955207824707, "b": 7.42955207824707, "c": 7.42955207824707, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2EuPt	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_444120	[ "Li", "Ca", "Tm" ]	[ 3, 3, 3, 3, 20, 20, 20, 20, 20, 20, 20, 20, 69, 69, 69, 69 ]	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": 8.096896171569824, "b": 8.096896171569824, "c": 8.096896171569824, "alpha": 90, "beta": 90, "gamma": 90 }	225	LiCa2Tm	general_inorganic	true	4	null	null	null	null	[ "li" ]	external_cif_tar
tar:OQMD_444134	[ "Ca", "Tb", "Hf" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 65, 65, 65, 65, 72, 72, 72, 72 ]	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": 7.949429988861084, "b": 7.949429988861084, "c": 7.949429988861084, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2TbHf	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_444150	[ "Ca", "Cr", "Tc" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 24, 24, 24, 24, 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": 7.138219833374023, "b": 7.138219833374023, "c": 7.138219833374023, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2CrTc	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_444169	[ "Mg", "Ca", "Sb" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 12, 12, 12, 12, 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": 7.75491189956665, "b": 7.75491189956665, "c": 7.75491189956665, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2MgSb	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_444186	[ "Ca", "Y", "Dy" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 66, 66, 66, 66, 39, 39, 39, 39 ]	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": 8.273433685302734, "b": 8.273433685302734, "c": 8.273433685302734, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2DyY	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_444201	[ "Ca", "Ru", "Sb" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 51, 51, 51, 51, 44, 44, 44, 44 ]	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": 7.199051856994629, "b": 7.199051856994629, "c": 7.199051856994629, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2SbRu	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_444217	[ "Ca", "Pr", "Hf" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 59, 59, 59, 59, 72, 72, 72, 72 ]	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": 8.455220222473145, "b": 8.455220222473145, "c": 8.455220222473145, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2PrHf	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_444233	[ "Ca", "Ni", "Pd" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 28, 28, 28, 28, 46, 46, 46, 46 ]	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": 6.944595813751221, "b": 6.944595813751221, "c": 6.944595813751221, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2NiPd	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_444249	[ "Na", "Ca", "Bi" ]	[ 11, 11, 11, 11, 20, 20, 20, 20, 20, 20, 20, 20, 83, 83, 83, 83 ]	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": 7.957243919372559, "b": 7.957243919372559, "c": 7.957243919372559, "alpha": 90, "beta": 90, "gamma": 90 }	225	NaCa2Bi	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_444266	[ "Ca", "Co", "Pr" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 59, 59, 59, 59, 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": 7.518755912780762, "b": 7.518755912780762, "c": 7.518755912780762, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2PrCo	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_444285	[ "Ca", "Ti", "Ac" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 89, 89, 89, 89, 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": 8.179774284362793, "b": 8.179774284362793, "c": 8.179774284362793, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2AcTi	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_444300	[ "Ca", "Dy", "Ir" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 66, 66, 66, 66, 77, 77, 77, 77 ]	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": 7.2959980964660645, "b": 7.2959980964660645, "c": 7.2959980964660645, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2DyIr	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_444316	[ "Ca", "Y", "Lu" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 39, 39, 39, 39, 71, 71, 71, 71 ]	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": 8.220979690551758, "b": 8.220979690551758, "c": 8.220979690551758, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2YLu	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_444328	[ "Ca", "Cr", "Zr" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 40, 40, 40, 40, 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": 7.388045787811279, "b": 7.388045787811279, "c": 7.388045787811279, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2ZrCr	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_444346	[ "Ca", "Y", "Re" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 39, 39, 39, 39, 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": 7.3996381759643555, "b": 7.3996381759643555, "c": 7.3996381759643555, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2YRe	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_444360	[ "Li", "Ca", "Nb" ]	[ 3, 3, 3, 3, 20, 20, 20, 20, 20, 20, 20, 20, 41, 41, 41, 41 ]	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": 7.72360897064209, "b": 7.72360897064209, "c": 7.72360897064209, "alpha": 90, "beta": 90, "gamma": 90 }	225	LiCa2Nb	general_inorganic	true	4	null	null	null	null	[ "li" ]	external_cif_tar
tar:OQMD_444376	[ "Ca", "Rb", "La" ]	[ 37, 37, 37, 37, 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": 9.096641540527344, "b": 9.096641540527344, "c": 9.096641540527344, "alpha": 90, "beta": 90, "gamma": 90 }	225	RbCa2La	general_inorganic	false	null	null	null	null	null	null	external_cif_tar
tar:OQMD_444391	[ "Ca", "Er", "Re" ]	[ 20, 20, 20, 20, 20, 20, 20, 20, 68, 68, 68, 68, 75, 75, 75, 75 ]	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": 7.369661808013916, "b": 7.369661808013916, "c": 7.369661808013916, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ca2ErRe	general_inorganic	false	null	null	null	null	null	null	external_cif_tar

tar:OQMD_442728

[ "Ca", "Tb", "Au" ]

[ 20, 20, 20, 20, 20, 20, 20, 20, 65, 65, 65, 65, 79, 79, 79, 79 ]

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3

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{ "a": 7.616878032684326, "b": 7.616878032684326, "c": 7.616878032684326, "alpha": 90, "beta": 90, "gamma": 90 }

225

Ca2TbAu

general_inorganic

false

null

external_cif_tar

tar:OQMD_442743

[ "B", "Ca", "Sn" ]

[ 20, 20, 20, 20, 20, 20, 20, 20, 50, 50, 50, 50, 5, 5, 5, 5 ]

16

3

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{ "a": 7.238796234130859, "b": 7.238796234130859, "c": 7.238796234130859, "alpha": 90, "beta": 90, "gamma": 90 }

225

Ca2SnB

general_inorganic

false

null

external_cif_tar

tar:OQMD_442757

[ "Ca", "Rb", "Tc" ]

[ 37, 37, 37, 37, 20, 20, 20, 20, 20, 20, 20, 20, 43, 43, 43, 43 ]

16

3

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{ "a": 7.91906213760376, "b": 7.91906213760376, "c": 7.91906213760376, "alpha": 90, "beta": 90, "gamma": 90 }

225

RbCa2Tc

general_inorganic

false

null

external_cif_tar

tar:OQMD_442772

[ "Ca", "Ni", "Te" ]

[ 20, 20, 20, 20, 20, 20, 20, 20, 28, 28, 28, 28, 52, 52, 52, 52 ]

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3

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{ "a": 7.32611608505249, "b": 7.32611608505249, "c": 7.32611608505249, "alpha": 90, "beta": 90, "gamma": 90 }

225

Ca2NiTe

general_inorganic

false

null

external_cif_tar

tar:OQMD_442782

[ "Al", "Ca", "Pr" ]

[ 20, 20, 20, 20, 20, 20, 20, 20, 59, 59, 59, 59, 13, 13, 13, 13 ]

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3

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{ "a": 7.917322158813477, "b": 7.917322158813477, "c": 7.917322158813477, "alpha": 90, "beta": 90, "gamma": 90 }

225

Ca2PrAl

general_inorganic

false

null

external_cif_tar

tar:OQMD_442793

[ "Ca", "Zr", "Pt" ]

[ 20, 20, 20, 20, 20, 20, 20, 20, 40, 40, 40, 40, 78, 78, 78, 78 ]

16

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225

Ca2ZrPt

general_inorganic

false

null

external_cif_tar

tar:OQMD_442811

[ "Ca", "Cs", "Pa" ]

[ 55, 55, 55, 55, 20, 20, 20, 20, 20, 20, 20, 20, 91, 91, 91, 91 ]

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{ "a": 8.987480163574219, "b": 8.987480163574219, "c": 8.987480163574219, "alpha": 90, "beta": 90, "gamma": 90 }

225

CsCa2Pa

general_inorganic

false

null

external_cif_tar

tar:OQMD_442826

[ "Al", "Ca", "Au" ]

[ 20, 20, 20, 20, 20, 20, 20, 20, 13, 13, 13, 13, 79, 79, 79, 79 ]

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225

Ca2AlAu

general_inorganic

false

null

external_cif_tar

tar:OQMD_442846

[ "Ca", "Au", "Ac" ]

[ 20, 20, 20, 20, 20, 20, 20, 20, 89, 89, 89, 89, 79, 79, 79, 79 ]

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{ "a": 7.863009929656982, "b": 7.863009929656982, "c": 7.863009929656982, "alpha": 90, "beta": 90, "gamma": 90 }

225

Ca2AcAu

general_inorganic

false

null

external_cif_tar

tar:OQMD_442859

[ "Ca", "Co", "La" ]

[ 20, 20, 20, 20, 20, 20, 20, 20, 57, 57, 57, 57, 27, 27, 27, 27 ]

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{ "a": 7.461487770080566, "b": 7.461487770080566, "c": 7.461487770080566, "alpha": 90, "beta": 90, "gamma": 90 }

225

Ca2LaCo

general_inorganic

false

null

external_cif_tar

tar:OQMD_442873

[ "Ca", "Ho", "Th" ]

[ 20, 20, 20, 20, 20, 20, 20, 20, 67, 67, 67, 67, 90, 90, 90, 90 ]

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{ "a": 8.245962142944336, "b": 8.245962142944336, "c": 8.245962142944336, "alpha": 90, "beta": 90, "gamma": 90 }

225

Ca2HoTh

general_inorganic

false

null

external_cif_tar

tar:OQMD_442889

[ "Ca", "Ba", "Tb" ]

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225

BaCa2Tb

general_inorganic

false

null

external_cif_tar

tar:OQMD_442924

[ "K", "Ca", "Nd" ]

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225

KCa2Nd

general_inorganic

false

null

external_cif_tar

tar:OQMD_442940

[ "Ca", "Mn", "Pd" ]

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225

Ca2MnPd

general_inorganic

false

null

external_cif_tar

tar:OQMD_442955

[ "Na", "Ca", "Yb" ]

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225

NaCa2Yb

general_inorganic

false

null

external_cif_tar

tar:OQMD_442973

[ "K", "Ca", "Hf" ]

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225

KCa2Hf

general_inorganic

false

null

external_cif_tar

tar:OQMD_442991

[ "Ca", "La", "Nd" ]

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225

Ca2LaNd

general_inorganic

false

null

external_cif_tar

tar:OQMD_443010

[ "Na", "Ca", "Rb" ]

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225

RbNaCa2

general_inorganic

false

null

external_cif_tar

tar:OQMD_443027

[ "Ca", "Cd", "Th" ]

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225

Ca2ThCd

general_inorganic

false

null

external_cif_tar

tar:OQMD_443042

[ "Ca", "Tc", "Sn" ]

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225

Ca2TcSn

general_inorganic

false

null

external_cif_tar

tar:OQMD_443055

[ "Ca", "Ge", "Pr" ]

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225

Ca2PrGe

general_inorganic

false

null

external_cif_tar

tar:OQMD_443072

[ "Li", "Ca", "Sn" ]

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225

LiCa2Sn

general_inorganic

true

4

null

[ "li" ]

external_cif_tar

tar:OQMD_443087

[ "Be", "Ca", "Hg" ]

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225

Ca2BeHg

general_inorganic

false

null

external_cif_tar

tar:OQMD_443106

[ "Si", "Ca", "Sc" ]

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225

Ca2ScSi

general_inorganic

false

null

external_cif_tar

tar:OQMD_443139

[ "Ca", "Rh", "Sn" ]

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225

Ca2SnRh

general_inorganic

false

null

external_cif_tar

tar:OQMD_443158

[ "Be", "K", "Ca" ]

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225

KCa2Be

general_inorganic

false

null

external_cif_tar

tar:OQMD_443175

[ "Ca", "Eu", "Hg" ]

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225

Ca2EuHg

general_inorganic

false

null

external_cif_tar

tar:OQMD_443190

[ "Si", "Ca", "Cs" ]

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225

CsCa2Si

general_inorganic

false

null

external_cif_tar

tar:OQMD_443204

[ "Ca", "Cu", "As" ]

[ 20, 20, 20, 20, 20, 20, 20, 20, 29, 29, 29, 29, 33, 33, 33, 33 ]

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225

Ca2CuAs

general_inorganic

false

null

external_cif_tar

tar:OQMD_443222

[ "Ca", "Rh", "Pb" ]

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225

Ca2RhPb

general_inorganic

false

null

external_cif_tar

tar:NOMAD_oag082r4FT7vvdqNNZbAVYtXrmEZ

[ "B", "Ca", "Fe" ]

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225

Ca2FeB

general_inorganic

false

null

external_cif_tar

tar:OQMD_443252

[ "Ca", "Sr", "Tc" ]

[ 38, 38, 38, 38, 20, 20, 20, 20, 20, 20, 20, 20, 43, 43, 43, 43 ]

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225

SrCa2Tc

general_inorganic

false

null

external_cif_tar

tar:OQMD_443269

[ "Li", "K", "Ca" ]

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225

KLiCa2

general_inorganic

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4

null

[ "li" ]

external_cif_tar

tar:OQMD_443282

[ "Ca", "Cr", "In" ]

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225

Ca2CrIn

general_inorganic

false

null

external_cif_tar

tar:OQMD_443302

[ "Ca", "Nd", "Ho" ]

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225

Ca2NdHo

general_inorganic

false

null

external_cif_tar

tar:OQMD_443319

[ "Ca", "Cr", "Tm" ]

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Ca2TmCr

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null

external_cif_tar

tar:OQMD_443336

[ "Ca", "Ni", "Ta" ]

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225

Ca2TaNi

general_inorganic

false

null

external_cif_tar

tar:OQMD_443352

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225

Ca2HfAs

general_inorganic

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null

external_cif_tar

tar:OQMD_443386

[ "Si", "Ca", "Pm" ]

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Ca2PmSi

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external_cif_tar

tar:NOMAD_Sr80ouehaXeAfdTXm6UZS070O0iX

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SrCa2Y

general_inorganic

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null

external_cif_tar

tar:OQMD_443418

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Ca2HoSc

general_inorganic

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null

external_cif_tar

tar:OQMD_443438

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Ca2CeNb

general_inorganic

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null

external_cif_tar

tar:OQMD_443455

[ "K", "Ca", "Cd" ]

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KCa2Cd

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null

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tar:NOMAD_Mx9K4ro8B2EQLgIMje6UC9iRaT0Y

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Ca2YSb

general_inorganic

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null

external_cif_tar

tar:OQMD_443484

[ "Be", "Ca", "Ir" ]

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225

Ca2BeIr

general_inorganic

false

null

external_cif_tar

tar:OQMD_443495

[ "Ca", "Tc", "Ce" ]

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Ca2CeTc

general_inorganic

false

null

external_cif_tar

tar:OQMD_443514

[ "Ca", "Sn", "Ho" ]

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Ca2HoSn

general_inorganic

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null

external_cif_tar

tar:NOMAD_kEs2m4VBO9XjU953SWBurPRmFPhD

[ "Ca", "Fe", "Au" ]

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225

Ca2FeAu

general_inorganic

false

null

external_cif_tar

tar:OQMD_443552

[ "Ca", "Zr", "In" ]

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225

Ca2ZrIn

general_inorganic

false

null

external_cif_tar

tar:OQMD_443571

[ "Ca", "Cr", "Zn" ]

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225

Ca2ZnCr

general_inorganic

false

null

external_cif_tar

tar:OQMD_443582

[ "Be", "Ca", "Tc" ]

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Ca2BeTc

general_inorganic

false

null

external_cif_tar

tar:OQMD_443595

[ "Ca", "Gd", "Tl" ]

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225

Ca2GdTl

general_inorganic

false

null

external_cif_tar

tar:OQMD_443608

[ "Ca", "Tb", "Ir" ]

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225

Ca2TbIr

general_inorganic

false

null

external_cif_tar

tar:OQMD_443629

[ "Ca", "Ho", "Tl" ]

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Ca2HoTl

general_inorganic

false

null

external_cif_tar

tar:OQMD_443645

[ "Ca", "Ag", "Ba" ]

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225

BaCa2Ag

general_inorganic

false

null

external_cif_tar

tar:OQMD_443663

[ "Ca", "Sm", "Tl" ]

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225

Ca2SmTl

general_inorganic

false

null

external_cif_tar

tar:OQMD_443680

[ "Ca", "Pr", "Bi" ]

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225

Ca2PrBi

general_inorganic

false

null

external_cif_tar

tar:OQMD_443697

[ "Ca", "Cs", "Tm" ]

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225

CsCa2Tm

general_inorganic

false

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external_cif_tar

tar:NOMAD_fdzHFN2geKrkxdUmODhjuRhxIcN8

[ "Ca", "Pd", "La" ]

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225

Ca2LaPd

general_inorganic

false

null

external_cif_tar

tar:OQMD_443727

[ "Ca", "V", "Te" ]

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225

Ca2VTe

general_inorganic

false

null

external_cif_tar

tar:OQMD_443747

[ "Al", "Ca", "Tl" ]

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225

Ca2AlTl

general_inorganic

false

null

external_cif_tar

tar:OQMD_443762

[ "Ca", "Yb", "Lu" ]

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225

Ca2YbLu

general_inorganic

false

null

external_cif_tar

tar:OQMD_443781

[ "Mg", "Ca", "W" ]

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225

Ca2MgW

general_inorganic

false

null

external_cif_tar

tar:OQMD_443795

[ "Ca", "Lu", "Np" ]

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225

Ca2LuNp

general_inorganic

false

null

external_cif_tar

tar:OQMD_443809

[ "Ca", "Ga", "Re" ]

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225

Ca2GaRe

general_inorganic

false

null

external_cif_tar

tar:OQMD_443824

[ "Ca", "In", "Sn" ]

[ 20, 20, 20, 20, 20, 20, 20, 20, 49, 49, 49, 49, 50, 50, 50, 50 ]

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225

Ca2InSn

general_inorganic

false

null

external_cif_tar

tar:OQMD_443838

[ "Be", "Ca", "Sr" ]

[ 38, 38, 38, 38, 20, 20, 20, 20, 20, 20, 20, 20, 4, 4, 4, 4 ]

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225

SrCa2Be

general_inorganic

false

null

external_cif_tar

tar:OQMD_443850

[ "Ca", "Ti", "Sb" ]

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225

Ca2TiSb

general_inorganic

false

null

external_cif_tar

tar:OQMD_443865

[ "Ca", "Nb", "Pd" ]

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225

Ca2NbPd

general_inorganic

false

null

external_cif_tar

tar:OQMD_443896

[ "Ca", "Rb", "Mo" ]

[ 37, 37, 37, 37, 20, 20, 20, 20, 20, 20, 20, 20, 42, 42, 42, 42 ]

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225

RbCa2Mo

general_inorganic

false

null

external_cif_tar

tar:OQMD_443916

[ "Ca", "Fe", "Ho" ]

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225

Ca2HoFe

general_inorganic

false

null

external_cif_tar

tar:OQMD_443936

[ "Ca", "Mo", "Hg" ]

[ 20, 20, 20, 20, 20, 20, 20, 20, 80, 80, 80, 80, 42, 42, 42, 42 ]

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225

Ca2HgMo

general_inorganic

false

null

external_cif_tar

tar:OQMD_443950

[ "Al", "Si", "Ca" ]

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225

Ca2AlSi

general_inorganic

false

null

external_cif_tar

tar:NOMAD_j6dVGtqiqXAX6yTdXDOd_wblm1tN

[ "Al", "Ca", "Y" ]

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225

Ca2YAl

general_inorganic

false

null

external_cif_tar

tar:OQMD_443979

[ "Be", "Ca", "Nd" ]

[ 20, 20, 20, 20, 20, 20, 20, 20, 60, 60, 60, 60, 4, 4, 4, 4 ]

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225

Ca2NdBe

general_inorganic

false

null

external_cif_tar

tar:OQMD_443996

[ "Ca", "Fe", "Ac" ]

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225

Ca2AcFe

general_inorganic

false

null

external_cif_tar

tar:OQMD_444010

[ "Ca", "Rh", "Lu" ]

[ 20, 20, 20, 20, 20, 20, 20, 20, 71, 71, 71, 71, 45, 45, 45, 45 ]

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225

Ca2LuRh

general_inorganic

false

null

external_cif_tar

tar:OQMD_444027

[ "Ca", "Te", "Ir" ]

[ 20, 20, 20, 20, 20, 20, 20, 20, 52, 52, 52, 52, 77, 77, 77, 77 ]

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225

Ca2TeIr

general_inorganic

false

null

external_cif_tar

tar:OQMD_444051

[ "Ca", "Hf", "Bi" ]

[ 20, 20, 20, 20, 20, 20, 20, 20, 72, 72, 72, 72, 83, 83, 83, 83 ]

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225

Ca2HfBi

general_inorganic

false

null

external_cif_tar

tar:OQMD_444070

[ "Ca", "Lu", "Pa" ]

[ 20, 20, 20, 20, 20, 20, 20, 20, 71, 71, 71, 71, 91, 91, 91, 91 ]

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225

Ca2LuPa

general_inorganic

false

null

external_cif_tar

tar:OQMD_444087

[ "Na", "Ca", "Cu" ]

[ 11, 11, 11, 11, 20, 20, 20, 20, 20, 20, 20, 20, 29, 29, 29, 29 ]

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225

NaCa2Cu

general_inorganic

false

null

external_cif_tar

tar:OQMD_444102

[ "Ca", "Eu", "Pt" ]

[ 20, 20, 20, 20, 20, 20, 20, 20, 63, 63, 63, 63, 78, 78, 78, 78 ]

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225

Ca2EuPt

general_inorganic

false

null

external_cif_tar

tar:OQMD_444120

[ "Li", "Ca", "Tm" ]

[ 3, 3, 3, 3, 20, 20, 20, 20, 20, 20, 20, 20, 69, 69, 69, 69 ]

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225

LiCa2Tm

general_inorganic

true

4

null

[ "li" ]

external_cif_tar

tar:OQMD_444134

[ "Ca", "Tb", "Hf" ]

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Ca2TbHf

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225

Ca2CrTc

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null

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Ca2MgSb

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Ca2DyY

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Ca2SbRu

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tar:OQMD_444217

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Ca2PrHf

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null

external_cif_tar

tar:OQMD_444233

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Ca2NiPd

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external_cif_tar

tar:OQMD_444249

[ "Na", "Ca", "Bi" ]

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NaCa2Bi

general_inorganic

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external_cif_tar

tar:OQMD_444266

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Ca2PrCo

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null

external_cif_tar

tar:OQMD_444285

[ "Ca", "Ti", "Ac" ]

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Ca2AcTi

general_inorganic

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external_cif_tar

tar:OQMD_444300

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Ca2DyIr

general_inorganic

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null

external_cif_tar

tar:OQMD_444316

[ "Ca", "Y", "Lu" ]

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Ca2YLu

general_inorganic

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null

external_cif_tar

tar:OQMD_444328

[ "Ca", "Cr", "Zr" ]

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225

Ca2ZrCr

general_inorganic

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null

external_cif_tar

tar:OQMD_444346

[ "Ca", "Y", "Re" ]

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225

Ca2YRe

general_inorganic

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external_cif_tar

tar:OQMD_444360

[ "Li", "Ca", "Nb" ]

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LiCa2Nb

general_inorganic

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external_cif_tar

tar:OQMD_444376

[ "Ca", "Rb", "La" ]

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RbCa2La

general_inorganic

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external_cif_tar

tar:OQMD_444391

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Ca2ErRe

general_inorganic

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external_cif_tar