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{
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{
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{
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{
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"formula_full": "K2 Hg2 Sb2",
"formula_reduced": "KHgSb",
"formula_anonymous": "ABC",
"energy": -13.63571044,
"energy_per_atom": -2.2726184066666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.25171044,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002419,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:30.126000Z",
"spacegroup": 194
},
{
"id": "mp-1198957",
"created_at": "2022-09-04T14:46:32.140228Z",
"structure_string": "Sm4 Zn34\n1.0\n9.044540 0.000000 0.000000\n-4.522270 7.832801 0.000000\n0.000000 0.000000 8.733322\nSm Zn\n4 34\ndirect\n0.000000 0.000000 0.250000 Sm\n0.000000 0.000000 0.750000 Sm\n0.333333 0.666667 0.750000 Sm\n0.666667 0.333333 0.250000 Sm\n0.333333 0.666667 0.401403 Zn\n0.666667 0.333333 0.598597 Zn\n0.666667 0.333333 0.901403 Zn\n0.333333 0.666667 0.098597 Zn\n0.500000 0.500000 0.500000 Zn\n0.500000 0.000000 0.500000 Zn\n0.000000 0.500000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.500000 0.000000 0.000000 Zn\n0.000000 0.500000 0.000000 Zn\n0.328864 0.365597 0.250000 Zn\n0.634403 0.963267 0.250000 Zn\n0.036733 0.671136 0.250000 Zn\n0.634403 0.671136 0.250000 Zn\n0.036733 0.365597 0.250000 Zn\n0.328864 0.963267 0.250000 Zn\n0.671136 0.634403 0.750000 Zn\n0.365597 0.036733 0.750000 Zn\n0.963267 0.328864 0.750000 Zn\n0.365597 0.328864 0.750000 Zn\n0.963267 0.634403 0.750000 Zn\n0.671136 0.036733 0.750000 Zn\n0.161718 0.838282 0.518312 Zn\n0.161718 0.323436 0.518312 Zn\n0.676564 0.838282 0.518312 Zn\n0.838282 0.161718 0.481688 Zn\n0.838282 0.676564 0.481688 Zn\n0.323436 0.161718 0.481688 Zn\n0.838282 0.161718 0.018312 Zn\n0.838282 0.676564 0.018312 Zn\n0.323436 0.161718 0.018312 Zn\n0.161718 0.838282 0.981688 Zn\n0.161718 0.323436 0.981688 Zn\n0.676564 0.838282 0.981688 Zn\n",
"nsites": 38,
"nelements": 2,
"elements": [
"Sm",
"Zn"
],
"chemical_system": "Sm-Zn",
"density": 7.582941193795365,
"density_atomic": 0.06141868967077051,
"volume": 618.7041795208537,
"volume_molar": 9.805062257565499,
"formula_full": "Sm4 Zn34",
"formula_reduced": "Sm2Zn17",
"formula_anonymous": "A2B17",
"energy": -71.52647541,
"energy_per_atom": -1.8822756686842106,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.52647541,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0553812,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:35.910000Z",
"spacegroup": 194
}
]
}