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{
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"updated_at": "2021-11-28T01:36:27.535000Z",
"spacegroup": 194
},
{
"id": "mp-12565",
"created_at": "2022-09-04T14:42:22.541587Z",
"structure_string": "Mn1 Au4\n1.0\n-3.273947 3.273947 2.031360\n3.273947 -3.273947 2.031360\n3.273947 3.273947 -2.031360\nMn Au\n1 4\ndirect\n0.000000 0.000000 0.000000 Mn\n0.602541 0.795703 0.398244 Au\n0.397459 0.204297 0.601756 Au\n0.204297 0.602541 0.806838 Au\n0.795703 0.397459 0.193162 Au\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Mn",
"Au"
],
"chemical_system": "Au-Mn",
"density": 16.068882462917408,
"density_atomic": 0.05740897956373046,
"volume": 87.09438903106499,
"volume_molar": 10.489893403025468,
"formula_full": "Mn1 Au4",
"formula_reduced": "MnAu4",
"formula_anonymous": "AB4",
"energy": -22.64529068,
"energy_per_atom": -4.529058136,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.64529068,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:35:44.631000Z",
"spacegroup": 87
},
{
"id": "mp-1196935",
"created_at": "2022-09-04T14:46:22.171723Z",
"structure_string": "U4 B16 Os16\n1.0\n-3.773770 3.773770 7.561525\n3.773770 -3.773770 7.561525\n3.773770 3.773770 -7.561525\nU B Os\n4 16 16\ndirect\n0.250000 0.250000 0.000000 U\n0.750000 0.750000 0.000000 U\n0.500000 0.000000 0.500000 U\n0.000000 0.500000 0.500000 U\n0.225479 0.912841 0.973519 B\n0.725479 0.751959 0.312638 B\n0.162841 0.975479 0.473519 B\n0.662841 0.189321 0.187362 B\n0.524521 0.337159 0.526481 B\n0.024521 0.498041 0.187362 B\n0.587159 0.274521 0.026481 B\n0.087159 0.060679 0.312638 B\n0.439321 0.412841 0.687362 B\n0.939321 0.251959 0.026481 B\n0.001959 0.475479 0.812638 B\n0.501959 0.689321 0.526481 B\n0.310679 0.837159 0.812638 B\n0.810679 0.998041 0.473519 B\n0.748041 0.774521 0.687362 B\n0.248041 0.560679 0.973519 B\n0.536883 0.074516 0.236233 Os\n0.036883 0.800650 0.462368 Os\n0.324516 0.286883 0.736233 Os\n0.824516 0.088282 0.037632 Os\n0.213117 0.175484 0.263767 Os\n0.713117 0.449350 0.037632 Os\n0.425484 0.963117 0.763767 Os\n0.925484 0.161718 0.462368 Os\n0.338282 0.574516 0.537632 Os\n0.838282 0.300650 0.763767 Os\n0.050650 0.786883 0.962368 Os\n0.550650 0.588282 0.263767 Os\n0.411718 0.675484 0.962368 Os\n0.911718 0.949350 0.736233 Os\n0.699350 0.463117 0.537632 Os\n0.199350 0.661718 0.236233 Os\n",
"nsites": 36,
"nelements": 3,
"elements": [
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"B",
"Os"
],
"chemical_system": "B-Os-U",
"density": 16.07078030328946,
"density_atomic": 0.0835761308610331,
"volume": 430.7449941641746,
"volume_molar": 7.205574962561218,
"formula_full": "U4 B16 Os16",
"formula_reduced": "U(BOs)4",
"formula_anonymous": "AB4C4",
"energy": -341.37526748000005,
"energy_per_atom": -9.48264631888889,
"energy_above_hull": null,
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"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -341.37526748000005,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0073779,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:31.098000Z",
"spacegroup": 142
}
]
}