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{
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{
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"structure_string": "Ag4 Au4 O12\n1.0\n0.000000 5.151928 5.151928\n5.151928 0.000000 5.151928\n5.151928 5.151928 0.000000\nAg Au O\n4 4 12\ndirect\n0.125000 0.125000 0.125000 Ag\n0.625000 0.125000 0.125000 Ag\n0.125000 0.625000 0.125000 Ag\n0.125000 0.125000 0.625000 Ag\n0.625000 0.625000 0.125000 Au\n0.625000 0.625000 0.625000 Au\n0.625000 0.125000 0.625000 Au\n0.125000 0.625000 0.625000 Au\n0.966287 0.533713 0.533713 O\n0.716287 0.716287 0.283713 O\n0.716287 0.283713 0.283713 O\n0.966287 0.533713 0.966287 O\n0.533713 0.966287 0.533713 O\n0.966287 0.966287 0.533713 O\n0.716287 0.283713 0.716287 O\n0.283713 0.716287 0.283713 O\n0.283713 0.283713 0.716287 O\n0.533713 0.966287 0.966287 O\n0.533713 0.533713 0.966287 O\n0.283713 0.716287 0.716287 O\n",
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"total_magnetization": 7.3590092,
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"updated_at": "2021-11-28T01:34:26.451000Z",
"spacegroup": 227
},
{
"id": "mp-16227",
"created_at": "2022-09-04T14:39:13.413447Z",
"structure_string": "Zn12 Ni8 Ge4\n1.0\n0.000000 5.449883 5.449883\n5.449883 0.000000 5.449883\n5.449883 5.449883 0.000000\nZn Ni Ge\n12 8 4\ndirect\n0.183793 0.816207 0.183793 Zn\n0.433793 0.066207 0.066207 Zn\n0.066207 0.433793 0.433793 Zn\n0.433793 0.066207 0.433793 Zn\n0.066207 0.066207 0.433793 Zn\n0.433793 0.433793 0.066207 Zn\n0.183793 0.183793 0.816207 Zn\n0.816207 0.183793 0.183793 Zn\n0.183793 0.816207 0.816207 Zn\n0.816207 0.816207 0.183793 Zn\n0.066207 0.433793 0.066207 Zn\n0.816207 0.183793 0.816207 Zn\n0.838556 0.838556 0.838556 Ni\n0.765668 0.411444 0.411444 Ni\n0.411444 0.765668 0.411444 Ni\n0.411444 0.411444 0.765668 Ni\n0.838556 0.484332 0.838556 Ni\n0.838556 0.838556 0.484332 Ni\n0.484332 0.838556 0.838556 Ni\n0.411444 0.411444 0.411444 Ni\n0.625000 0.625000 0.625000 Ge\n0.125000 0.625000 0.625000 Ge\n0.625000 0.125000 0.625000 Ge\n0.625000 0.625000 0.125000 Ge\n",
"nsites": 24,
"nelements": 3,
"elements": [
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"Ni",
"Ge"
],
"chemical_system": "Ge-Ni-Zn",
"density": 7.924836699538967,
"density_atomic": 0.07413438851003674,
"volume": 323.7363992926271,
"volume_molar": 8.123275690315687,
"formula_full": "Zn12 Ni8 Ge4",
"formula_reduced": "Zn3Ni2Ge",
"formula_anonymous": "AB2C3",
"energy": -85.40283443,
"energy_per_atom": -3.558451434583333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -85.40283443,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:34.814000Z",
"spacegroup": 227
},
{
"id": "mp-1212808",
"created_at": "2022-09-04T14:39:13.815218Z",
"structure_string": "Dy8 Rh2\n1.0\n0.000000 5.366334 5.366334\n5.366334 0.000000 5.366334\n5.366334 5.366334 0.000000\nDy Rh\n8 2\ndirect\n0.889299 0.889299 0.889299 Dy\n0.889299 0.889299 0.332104 Dy\n0.889299 0.332104 0.889299 Dy\n0.360701 0.360701 0.917896 Dy\n0.360701 0.360701 0.360701 Dy\n0.332104 0.889299 0.889299 Dy\n0.360701 0.917896 0.360701 Dy\n0.917896 0.360701 0.360701 Dy\n0.500000 0.500000 0.500000 Rh\n0.750000 0.750000 0.750000 Rh\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Dy",
"Rh"
],
"chemical_system": "Dy-Rh",
"density": 8.090148031719355,
"density_atomic": 0.032354664850427775,
"volume": 309.0744424715555,
"volume_molar": 18.612897978822296,
"formula_full": "Dy8 Rh2",
"formula_reduced": "Dy4Rh",
"formula_anonymous": "AB4",
"energy": -50.79015378999999,
"energy_per_atom": -5.079015378999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.79015378999999,
"band_gap": 0.0,
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"total_magnetization": 0.0156639,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.371000Z",
"spacegroup": 227
}
]
}