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{
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{
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{
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{
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{
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"structure_string": "U12 Ni2\n1.0\n-5.147562 5.147562 2.555522\n5.147562 -5.147562 2.555522\n5.147562 5.147562 -2.555522\nU Ni\n12 2\ndirect\n0.105201 0.782242 0.887443 U\n0.593767 0.093767 0.687533 U\n0.906233 0.593767 0.500000 U\n0.894799 0.217758 0.112557 U\n0.406233 0.906233 0.312467 U\n0.782242 0.894799 0.677041 U\n0.217758 0.105201 0.322959 U\n0.394799 0.282242 0.677041 U\n0.282242 0.605201 0.887443 U\n0.605201 0.717758 0.322959 U\n0.093767 0.406233 0.500000 U\n0.717758 0.394799 0.112557 U\n0.250000 0.250000 0.000000 Ni\n0.750000 0.750000 0.000000 Ni\n",
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{
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"nelements": 3,
"elements": [
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"Co",
"Si"
],
"chemical_system": "Co-Si-Sm",
"density": 6.89792678788342,
"density_atomic": 0.05112199882336207,
"volume": 586.8315146216545,
"volume_molar": 11.779939944852003,
"formula_full": "Sm8 Co20 Si2",
"formula_reduced": "Sm4Co10Si",
"formula_anonymous": "AB4C10",
"energy": -171.88650963,
"energy_per_atom": -5.7295503210000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -172.02850963,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 25.1424318,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:02.472000Z",
"spacegroup": 141
},
{
"id": "mp-1079800",
"created_at": "2022-09-04T14:47:15.803752Z",
"structure_string": "La2 Co2 Se2 O3\n1.0\n-2.049771 2.049771 9.285549\n2.049771 -2.049771 9.285549\n2.049771 2.049771 -9.285549\nLa Co Se O\n2 2 2 3\ndirect\n0.315756 0.315756 0.000000 La\n0.684244 0.684244 0.000000 La\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.904481 0.904481 0.000000 Se\n0.095519 0.095519 0.000000 Se\n0.250000 0.750000 0.500000 O\n0.750000 0.250000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"La",
"Co",
"Se",
"O"
],
"chemical_system": "Co-La-O-Se",
"density": 6.401406872274937,
"density_atomic": 0.05767189781841268,
"volume": 156.05520782994947,
"volume_molar": 10.44207142092233,
"formula_full": "La2 Co2 Se2 O3",
"formula_reduced": "La2Co2Se2O3",
"formula_anonymous": "A2B2C2D3",
"energy": -66.14832909,
"energy_per_atom": -7.349814343333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -59.86732909,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0070076,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:58.859000Z",
"spacegroup": 139
}
]
}