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{
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{
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{
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"updated_at": "2021-11-28T01:35:56.845000Z",
"spacegroup": 221
},
{
"id": "mp-763959",
"created_at": "2022-09-04T14:42:45.061654Z",
"structure_string": "Li6 Mn6 Fe2 O16\n1.0\n2.936850 5.194903 0.077180\n5.806051 0.040513 0.030034\n-0.049819 -0.114571 -9.508114\nLi Mn Fe O\n6 6 2 16\ndirect\n0.155549 0.183202 0.556500 Li\n0.648342 0.179879 0.552539 Li\n0.168045 0.664981 0.556071 Li\n0.836073 0.342272 0.058115 Li\n0.354819 0.819855 0.059620 Li\n0.825524 0.821058 0.056555 Li\n0.168187 0.169981 0.288072 Mn\n0.657979 0.173300 0.286673 Mn\n0.165416 0.669214 0.289006 Mn\n0.839377 0.327959 0.786436 Mn\n0.343652 0.826534 0.784066 Mn\n0.837631 0.825872 0.782403 Mn\n0.348036 0.319321 0.005601 Fe\n0.653982 0.680698 0.512331 Fe\n0.981475 0.000226 0.181678 O\n0.970176 0.011431 0.674404 O\n0.173244 0.142078 0.905394 O\n0.497567 0.023919 0.159708 O\n0.682748 0.129055 0.906411 O\n0.345751 0.342654 0.399209 O\n0.047209 0.473627 0.161071 O\n0.503880 0.468784 0.148680 O\n0.813457 0.342435 0.406034 O\n0.167300 0.667960 0.894836 O\n0.517479 0.527764 0.654237 O\n0.960859 0.537170 0.645333 O\n0.710210 0.643609 0.900063 O\n0.303022 0.856814 0.409778 O\n0.519862 0.965448 0.659835 O\n0.803395 0.862651 0.409706 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
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"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Li-Mn-O",
"density": 4.296403584375984,
"density_atomic": 0.10504114070686657,
"volume": 285.6023820582795,
"volume_molar": 5.733125820487524,
"formula_full": "Li6 Mn6 Fe2 O16",
"formula_reduced": "Li3Mn3FeO8",
"formula_anonymous": "AB3C3D8",
"energy": -221.77804742,
"energy_per_atom": -7.392601580666667,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:00.082000Z",
"spacegroup": 1
},
{
"id": "mp-1226073",
"created_at": "2022-09-04T14:42:45.633247Z",
"structure_string": "Co5 Sn2 Sb2\n1.0\n-2.075110 -3.593882 0.000000\n-4.150220 0.000000 0.000000\n0.000000 0.000000 -9.889611\nCo Sn Sb\n5 2 2\ndirect\n0.000005 0.999997 0.254496 Co\n0.000011 0.999994 0.751423 Co\n0.000005 0.999997 0.995504 Co\n0.000011 0.999994 0.498577 Co\n0.333371 0.333315 0.125000 Co\n0.666659 0.666671 0.125000 Sn\n0.666686 0.666657 0.625000 Sn\n0.333326 0.333337 0.385465 Sb\n0.333326 0.333337 0.864535 Sb\n",
"nsites": 9,
"nelements": 3,
"elements": [
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"Sn",
"Sb"
],
"chemical_system": "Co-Sb-Sn",
"density": 8.731243531765767,
"density_atomic": 0.061013841233847385,
"volume": 147.50751334448447,
"volume_molar": 9.870122316867377,
"formula_full": "Co5 Sn2 Sb2",
"formula_reduced": "Co5(SnSb)2",
"formula_anonymous": "A2B2C5",
"energy": -52.35777621,
"energy_per_atom": -5.81753069,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -51.97377621,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 4.2555583,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.748000Z",
"spacegroup": 187
},
{
"id": "mp-1216204",
"created_at": "2022-09-04T14:42:44.950979Z",
"structure_string": "Zr6 Ga9 Co3\n1.0\n0.002475 -0.064192 -6.386101\n-4.083420 5.814830 -3.137705\n4.088388 5.881908 3.246862\nZr Ga Co\n6 9 3\ndirect\n0.474210 0.470150 0.983968 Zr\n0.974284 0.524037 0.032694 Zr\n0.446760 0.046623 0.529158 Zr\n0.947974 0.969351 0.457304 Zr\n0.806632 0.257612 0.748218 Zr\n0.301897 0.751251 0.254498 Zr\n0.279938 0.261949 0.743965 Ga\n0.788884 0.719577 0.245436 Ga\n0.508929 0.343447 0.345764 Ga\n0.486382 0.663424 0.661631 Ga\n0.985644 0.846176 0.839871 Ga\n0.985564 0.164626 0.164491 Ga\n0.403172 0.116715 0.127839 Ga\n0.389673 0.884078 0.867382 Ga\n0.886361 0.621598 0.607593 Ga\n0.902895 0.362847 0.387495 Co\n0.254403 0.500411 0.498397 Co\n0.736398 0.996129 0.004294 Co\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Zr",
"Ga",
"Co"
],
"chemical_system": "Co-Ga-Zr",
"density": 7.352485127875273,
"density_atomic": 0.05896484016548644,
"volume": 305.2666631416706,
"volume_molar": 10.213104526525802,
"formula_full": "Zr6 Ga9 Co3",
"formula_reduced": "Zr2Ga3Co",
"formula_anonymous": "AB2C3",
"energy": -108.91851728,
"energy_per_atom": -6.051028737777778,
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"updated_at": "2021-11-28T01:36:10.044000Z",
"spacegroup": 1
}
]
}