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{
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{
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{
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{
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"energy_per_atom": -8.2275144525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -124.77023124,
"band_gap": 2.8925999999999994,
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"is_magnetic": false,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.734000Z",
"spacegroup": 1
},
{
"id": "mp-850131",
"created_at": "2022-09-04T14:47:15.757868Z",
"structure_string": "Ni2 S4\n1.0\n5.350663 0.000000 0.000000\n0.000000 3.760921 0.000000\n0.000000 2.770592 4.688609\nNi S\n2 4\ndirect\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.113913 0.668439 0.820508 S\n0.386087 0.668439 0.320508 S\n0.886087 0.331561 0.179492 S\n0.613913 0.331561 0.679492 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ni",
"S"
],
"chemical_system": "Ni-S",
"density": 4.323290135292187,
"density_atomic": 0.06359243047345936,
"volume": 94.35085206413257,
"volume_molar": 9.469901865935714,
"formula_full": "Ni2 S4",
"formula_reduced": "NiS2",
"formula_anonymous": "AB2",
"energy": -31.52883821,
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"energy_uncorrected": -29.516838210000003,
"band_gap": 0.0,
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"total_magnetization": 0.0001595,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:05.447000Z",
"spacegroup": 14
}
]
}