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{
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"structure_string": "Ca2 Fe2 Si2 O10\n1.0\n3.301084 0.048624 4.429533\n2.894657 -6.348020 -0.010152\n-0.001968 -0.015022 -8.856943\nCa Fe Si O\n2 2 2 10\ndirect\n0.498852 0.246847 0.169833 Ca\n0.494035 0.744640 0.828307 Ca\n0.496379 0.495886 0.499156 Fe\n0.496594 0.995825 0.499227 Fe\n0.497165 0.245522 0.817822 Si\n0.495749 0.746275 0.180430 Si\n0.293469 0.109280 0.613034 O\n0.703833 0.380278 0.816902 O\n0.699398 0.882591 0.385178 O\n0.289177 0.611468 0.181327 O\n0.863443 0.584847 0.246209 O\n0.127668 0.906096 0.876444 O\n0.129620 0.407074 0.752054 O\n0.865465 0.085775 0.121834 O\n0.496877 0.745320 0.569385 O\n0.496274 0.246439 0.428864 O\n",
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{
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"structure_string": "Mg12 Mn2 Co2\n1.0\n4.767903 0.000000 0.000000\n0.000000 6.020620 0.000000\n0.000000 0.000000 10.582642\nMg Mn Co\n12 2 2\ndirect\n0.000000 0.263785 0.087737 Mg\n0.000000 0.736215 0.087737 Mg\n0.000000 0.000000 0.334174 Mg\n0.500000 0.739595 0.410894 Mg\n0.500000 0.260405 0.410894 Mg\n0.500000 0.000000 0.166430 Mg\n0.000000 0.763785 0.587737 Mg\n0.000000 0.236215 0.587737 Mg\n0.000000 0.500000 0.834174 Mg\n0.500000 0.239595 0.910894 Mg\n0.500000 0.760405 0.910894 Mg\n0.500000 0.500000 0.666430 Mg\n0.000000 0.500000 0.317835 Mn\n0.000000 0.000000 0.817835 Mn\n0.500000 0.500000 0.184299 Co\n0.500000 0.000000 0.684299 Co\n",
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{
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"total_magnetization": 27.0029649,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:43.035000Z",
"spacegroup": 1
},
{
"id": "mp-622345",
"created_at": "2022-09-04T14:44:43.756237Z",
"structure_string": "U10 Ge6\n1.0\n4.277615 -7.409046 0.000000\n4.277615 7.409046 0.000000\n0.000000 0.000000 5.465291\nU Ge\n10 6\ndirect\n0.000000 0.233769 0.250000 U\n0.233769 0.000000 0.250000 U\n0.333333 0.666667 0.000000 U\n0.766231 0.766231 0.250000 U\n0.233769 0.233769 0.750000 U\n0.666667 0.333333 0.000000 U\n0.766231 0.000000 0.750000 U\n0.000000 0.766231 0.750000 U\n0.333333 0.666667 0.500000 U\n0.666667 0.333333 0.500000 U\n0.392844 0.000000 0.750000 Ge\n0.392844 0.392844 0.250000 Ge\n0.000000 0.607156 0.250000 Ge\n0.607156 0.000000 0.250000 Ge\n0.607156 0.607156 0.750000 Ge\n0.000000 0.392844 0.750000 Ge\n",
"nsites": 16,
"nelements": 2,
"elements": [
"U",
"Ge"
],
"chemical_system": "Ge-U",
"density": 13.4987758544832,
"density_atomic": 0.0461862509422482,
"volume": 346.4234414697694,
"volume_molar": 13.038817044341076,
"formula_full": "U10 Ge6",
"formula_reduced": "U5Ge3",
"formula_anonymous": "A3B5",
"energy": -140.25506384,
"energy_per_atom": -8.76594149,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -140.25506384,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.7466998,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:44.271000Z",
"spacegroup": 193
}
]
}