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{
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{
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{
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{
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{
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{
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{
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{
"id": "mp-1044328",
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"structure_string": "Mg4 Mn12 O28\n1.0\n5.456486 0.000000 0.000000\n0.000000 9.610656 0.000000\n0.000000 0.000000 10.390441\nMg Mn O\n4 12 28\ndirect\n0.374279 0.044392 0.250000 Mg\n0.874279 0.455608 0.750000 Mg\n0.625721 0.955608 0.750000 Mg\n0.125721 0.544392 0.250000 Mg\n0.710437 0.701258 0.971702 Mn\n0.210437 0.798742 0.028298 Mn\n0.289563 0.298742 0.471702 Mn\n0.789563 0.201258 0.528298 Mn\n0.708126 0.764748 0.250000 Mn\n0.208126 0.735252 0.750000 Mn\n0.291874 0.235252 0.750000 Mn\n0.791874 0.264748 0.250000 Mn\n0.210437 0.798742 0.471702 Mn\n0.710437 0.701258 0.528298 Mn\n0.789563 0.201258 0.971702 Mn\n0.289563 0.298742 0.028298 Mn\n0.044834 0.290581 0.877914 O\n0.544834 0.209419 0.122086 O\n0.955166 0.709419 0.377914 O\n0.455166 0.790581 0.622086 O\n0.955166 0.709419 0.122086 O\n0.455166 0.790581 0.877914 O\n0.044834 0.290581 0.622086 O\n0.544834 0.209419 0.377914 O\n0.520051 0.281159 0.882228 O\n0.020051 0.218841 0.117772 O\n0.479949 0.718841 0.382228 O\n0.979949 0.781159 0.617772 O\n0.479949 0.718841 0.117772 O\n0.979949 0.781159 0.882228 O\n0.520051 0.281159 0.617772 O\n0.020051 0.218841 0.382228 O\n0.802074 0.443247 0.250000 O\n0.302074 0.056753 0.750000 O\n0.197926 0.556753 0.750000 O\n0.697926 0.943247 0.250000 O\n0.774375 0.035939 0.590195 O\n0.274375 0.464061 0.409805 O\n0.225625 0.964061 0.090195 O\n0.725625 0.535939 0.909805 O\n0.225625 0.964061 0.409805 O\n0.725625 0.535939 0.590195 O\n0.774375 0.035939 0.909805 O\n0.274375 0.464061 0.090195 O\n",
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{
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{
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{
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"volume_molar": 18.816807466102308,
"formula_full": "Pr3 Sn1",
"formula_reduced": "Pr3Sn",
"formula_anonymous": "AB3",
"energy": -20.10712829,
"energy_per_atom": -5.0267820725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.10712829,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5138853,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:16.174000Z",
"spacegroup": 221
}
]
}