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{
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{
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{
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"id": "mp-1102228",
"created_at": "2022-09-04T14:40:54.372342Z",
"structure_string": "Yb4 Ga4 Pd4\n1.0\n4.308760 0.000000 0.000000\n0.000000 7.144109 0.000000\n0.000000 0.000000 7.785000\nYb Ga Pd\n4 4 4\ndirect\n0.250000 0.981077 0.312144 Yb\n0.250000 0.481077 0.187856 Yb\n0.750000 0.018923 0.687856 Yb\n0.750000 0.518923 0.812144 Yb\n0.250000 0.338206 0.572566 Ga\n0.250000 0.838206 0.927434 Ga\n0.750000 0.661794 0.427434 Ga\n0.750000 0.161794 0.072566 Ga\n0.250000 0.212459 0.891131 Pd\n0.250000 0.712459 0.608869 Pd\n0.750000 0.787541 0.108869 Pd\n0.750000 0.287541 0.391131 Pd\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Yb",
"Ga",
"Pd"
],
"chemical_system": "Ga-Pd-Yb",
"density": 9.678391535147206,
"density_atomic": 0.05007514928435022,
"volume": 239.63982477332942,
"volume_molar": 12.026206304056043,
"formula_full": "Yb4 Ga4 Pd4",
"formula_reduced": "YbGaPd",
"formula_anonymous": "ABC",
"energy": -49.25384912999999,
"energy_per_atom": -4.1044874275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.25384912999999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0077599,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:01.712000Z",
"spacegroup": 62
},
{
"id": "mp-1104669",
"created_at": "2022-09-04T14:40:54.351536Z",
"structure_string": "Ca10 Pd4\n1.0\n3.330912 8.333389 0.000000\n-3.330912 8.333389 0.000000\n0.000000 0.988442 7.616598\nCa Pd\n10 4\ndirect\n0.019029 0.798553 0.918834 Ca\n0.201447 0.980971 0.581166 Ca\n0.980971 0.201447 0.081166 Ca\n0.798553 0.019029 0.418834 Ca\n0.363143 0.202417 0.819673 Ca\n0.797583 0.636857 0.680327 Ca\n0.636857 0.797583 0.180327 Ca\n0.202417 0.363143 0.319673 Ca\n0.578711 0.421289 0.750000 Ca\n0.421289 0.578711 0.250000 Ca\n0.183599 0.595675 0.581049 Pd\n0.404325 0.816401 0.918951 Pd\n0.816401 0.404325 0.418951 Pd\n0.595675 0.183599 0.081049 Pd\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Ca",
"Pd"
],
"chemical_system": "Ca-Pd",
"density": 3.2456007285461657,
"density_atomic": 0.03310946715236705,
"volume": 422.8397858405014,
"volume_molar": 18.18857649471253,
"formula_full": "Ca10 Pd4",
"formula_reduced": "Ca5Pd2",
"formula_anonymous": "A2B5",
"energy": -47.79466619,
"energy_per_atom": -3.413904727857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.79466619,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004989,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:02.199000Z",
"spacegroup": 15
}
]
}