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{
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{
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{
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{
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],
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"formula_full": "Sr8 Ca4 Ti12 O36",
"formula_reduced": "Sr2CaTi3O9",
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"updated_at": "2021-11-28T01:37:22.893000Z",
"spacegroup": 6
},
{
"id": "mp-639526",
"created_at": "2022-09-04T14:46:10.496809Z",
"structure_string": "La4 Zn6 Ge12\n1.0\n3.014189 -12.550216 0.000000\n3.014189 12.550216 0.000000\n0.000000 0.000000 6.025187\nLa Zn Ge\n4 6 12\ndirect\n0.894418 0.105582 0.250000 La\n0.394612 0.605388 0.750000 La\n0.605388 0.394612 0.250000 La\n0.105582 0.894418 0.750000 La\n0.760655 0.760655 0.000000 Zn\n0.338950 0.661050 0.250000 Zn\n0.760655 0.760655 0.500000 Zn\n0.661050 0.338950 0.750000 Zn\n0.239345 0.239345 0.000000 Zn\n0.239345 0.239345 0.500000 Zn\n0.013046 0.416105 0.964798 Ge\n0.986954 0.583895 0.464798 Ge\n0.583895 0.986954 0.964798 Ge\n0.986954 0.583895 0.035202 Ge\n0.933890 0.066110 0.750000 Ge\n0.416105 0.013046 0.464798 Ge\n0.441314 0.558686 0.250000 Ge\n0.583895 0.986954 0.535202 Ge\n0.416105 0.013046 0.035202 Ge\n0.066110 0.933890 0.250000 Ge\n0.558686 0.441314 0.750000 Ge\n0.013046 0.416105 0.535202 Ge\n",
"nsites": 22,
"nelements": 3,
"elements": [
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],
"chemical_system": "Ge-La-Zn",
"density": 6.628877931578655,
"density_atomic": 0.048261461969813006,
"volume": 455.85026027103675,
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"formula_full": "La4 Zn6 Ge12",
"formula_reduced": "La2(ZnGe2)3",
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"updated_at": "2021-11-28T01:37:24.268000Z",
"spacegroup": 63
},
{
"id": "mp-1112004",
"created_at": "2022-09-04T14:46:10.504824Z",
"structure_string": "Cs2 Rb1 Tl1 Cl6\n1.0\n0.000000 5.746868 5.746868\n5.746868 0.000000 5.746868\n5.746868 5.746868 0.000000\nCs Rb Tl Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Tl\n0.771768 0.228232 0.228232 Cl\n0.228232 0.228232 0.771768 Cl\n0.228232 0.771768 0.771768 Cl\n0.228232 0.771768 0.228232 Cl\n0.771768 0.228232 0.771768 Cl\n0.771768 0.771768 0.228232 Cl\n",
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"elements": [
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"Cl"
],
"chemical_system": "Cl-Cs-Rb-Tl",
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"density_atomic": 0.026343673707149892,
"volume": 379.5977778636818,
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"formula_full": "Cs2 Rb1 Tl1 Cl6",
"formula_reduced": "Cs2RbTlCl6",
"formula_anonymous": "ABC2D6",
"energy": -34.70880362,
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"updated_at": "2021-11-28T01:37:19.733000Z",
"spacegroup": 225
}
]
}