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{
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{
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{
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},
{
"id": "mp-1023192",
"created_at": "2022-09-04T14:47:59.028084Z",
"structure_string": "Ca2 Mg12 Ga2\n1.0\n5.152444 0.000000 0.000000\n0.000000 6.364403 0.000000\n0.000000 0.000000 11.607952\nCa Mg Ga\n2 12 2\ndirect\n0.500000 0.500000 0.671607 Ca\n0.500000 0.000000 0.171607 Ca\n0.500000 0.748214 0.920020 Mg\n0.500000 0.251786 0.920020 Mg\n0.000000 0.240237 0.581417 Mg\n0.000000 0.759763 0.581417 Mg\n0.000000 0.500000 0.839522 Mg\n0.000000 0.000000 0.827106 Mg\n0.500000 0.248214 0.420020 Mg\n0.500000 0.751786 0.420020 Mg\n0.000000 0.740237 0.081417 Mg\n0.000000 0.259763 0.081417 Mg\n0.000000 0.000000 0.339522 Mg\n0.000000 0.500000 0.327106 Mg\n0.500000 0.000000 0.658888 Ga\n0.500000 0.500000 0.158888 Ga\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Mg",
"Ga"
],
"chemical_system": "Ca-Ga-Mg",
"density": 2.2303142356705954,
"density_atomic": 0.042033294149400345,
"volume": 380.6506324041762,
"volume_molar": 14.32707305450604,
"formula_full": "Ca2 Mg12 Ga2",
"formula_reduced": "CaMg6Ga",
"formula_anonymous": "ABC6",
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"updated_at": "2021-11-28T01:38:26.500000Z",
"spacegroup": 38
},
{
"id": "mp-672653",
"created_at": "2022-09-04T14:48:01.534573Z",
"structure_string": "Nb6 Ni16 Ge7\n1.0\n0.000000 5.723572 5.723572\n5.723572 0.000000 5.723572\n5.723572 5.723572 0.000000\nNb Ni Ge\n6 16 7\ndirect\n0.698958 0.301042 0.301042 Nb\n0.301042 0.301042 0.698958 Nb\n0.301042 0.698958 0.698958 Nb\n0.698958 0.698958 0.301042 Nb\n0.301042 0.698958 0.301042 Nb\n0.698958 0.301042 0.698958 Nb\n0.117209 0.117209 0.648372 Ni\n0.667493 0.997520 0.667493 Ni\n0.351628 0.882791 0.882791 Ni\n0.002480 0.332507 0.332507 Ni\n0.997520 0.667493 0.667493 Ni\n0.332507 0.332507 0.002480 Ni\n0.667493 0.667493 0.997520 Ni\n0.648372 0.117209 0.117209 Ni\n0.667493 0.667493 0.667493 Ni\n0.882791 0.882791 0.351628 Ni\n0.117209 0.117209 0.117209 Ni\n0.882791 0.351628 0.882791 Ni\n0.882791 0.882791 0.882791 Ni\n0.332507 0.332507 0.332507 Ni\n0.117209 0.648372 0.117209 Ni\n0.332507 0.002480 0.332507 Ni\n0.000000 0.500000 0.000000 Ge\n0.000000 0.000000 0.500000 Ge\n0.000000 0.000000 0.000000 Ge\n0.500000 0.500000 0.000000 Ge\n0.500000 0.000000 0.500000 Ge\n0.500000 0.000000 0.000000 Ge\n0.000000 0.500000 0.500000 Ge\n",
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"elements": [
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"Ni",
"Ge"
],
"chemical_system": "Ge-Nb-Ni",
"density": 8.878401360980344,
"density_atomic": 0.07733330142352074,
"volume": 375.00015473514645,
"volume_molar": 7.787254195989078,
"formula_full": "Nb6 Ni16 Ge7",
"formula_reduced": "Nb6Ni16Ge7",
"formula_anonymous": "A6B7C16",
"energy": -196.3161245,
"energy_per_atom": -6.769521534482759,
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"updated_at": "2021-11-28T01:38:26.501000Z",
"spacegroup": 225
}
]
}