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{
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{
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{
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{
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"structure_string": "Al4 Co4 O12\n1.0\n4.769809 0.000000 0.000000\n0.000000 4.920832 0.000000\n0.000000 0.000000 7.300502\nAl Co O\n4 4 12\ndirect\n0.523033 0.933290 0.750000 Al\n0.023033 0.566710 0.250000 Al\n0.976967 0.433290 0.750000 Al\n0.476967 0.066710 0.250000 Al\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.000000 Co\n0.178779 0.318700 0.416852 O\n0.678779 0.181300 0.583148 O\n0.321221 0.818700 0.083148 O\n0.821221 0.681300 0.916852 O\n0.821221 0.681300 0.583148 O\n0.321221 0.818700 0.416852 O\n0.678779 0.181300 0.916852 O\n0.178779 0.318700 0.083148 O\n0.651350 0.414970 0.250000 O\n0.151350 0.085030 0.750000 O\n0.848650 0.914970 0.250000 O\n0.348650 0.585030 0.750000 O\n",
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{
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"created_at": "2022-09-04T14:45:29.172892Z",
"structure_string": "Sr8 Mg8 V16 O56\n1.0\n15.043800 0.000000 0.000000\n0.000000 6.924078 0.000000\n0.000000 1.823767 11.353945\nSr Mg V O\n8 8 16 56\ndirect\n0.004817 0.917381 0.745373 Sr\n0.995183 0.082619 0.254627 Sr\n0.504817 0.082619 0.754627 Sr\n0.495183 0.917381 0.245373 Sr\n0.375733 0.658425 0.979189 Sr\n0.624267 0.341575 0.020811 Sr\n0.875733 0.341575 0.520811 Sr\n0.124267 0.658425 0.479189 Sr\n0.324470 0.361352 0.577076 Mg\n0.675530 0.638648 0.422924 Mg\n0.824470 0.638648 0.922924 Mg\n0.175530 0.361352 0.077076 Mg\n0.246012 0.995953 0.750101 Mg\n0.753988 0.004047 0.249899 Mg\n0.746012 0.004047 0.749899 Mg\n0.253988 0.995953 0.250101 Mg\n0.362910 0.873499 0.520974 V\n0.637090 0.126501 0.479026 V\n0.862910 0.126501 0.979026 V\n0.137090 0.873499 0.020974 V\n0.012401 0.408901 0.822843 V\n0.987599 0.591099 0.177157 V\n0.512401 0.591099 0.677157 V\n0.487599 0.408901 0.322843 V\n0.864132 0.844331 0.518244 V\n0.135868 0.155669 0.481756 V\n0.364132 0.155669 0.981756 V\n0.635868 0.844331 0.018244 V\n0.199998 0.486177 0.798629 V\n0.800002 0.513823 0.201371 V\n0.699998 0.513823 0.701371 V\n0.300002 0.486177 0.298629 V\n0.291628 0.680236 0.549686 O\n0.708372 0.319764 0.450314 O\n0.791628 0.319764 0.950314 O\n0.208372 0.680236 0.049686 O\n0.482347 0.716411 0.786212 O\n0.517653 0.283589 0.213788 O\n0.982347 0.283589 0.713788 O\n0.017653 0.716411 0.286212 O\n0.142427 0.968872 0.872952 O\n0.857573 0.031128 0.127048 O\n0.642427 0.031128 0.627048 O\n0.357573 0.968872 0.372952 O\n0.101914 0.571827 0.715651 O\n0.898086 0.428173 0.284349 O\n0.601914 0.428173 0.784349 O\n0.398086 0.571827 0.215651 O\n0.785492 0.652075 0.533730 O\n0.214508 0.347925 0.466270 O\n0.285492 0.347925 0.966270 O\n0.714508 0.652075 0.033730 O\n0.853621 0.990433 0.628807 O\n0.146379 0.009567 0.371193 O\n0.353621 0.009567 0.871193 O\n0.646379 0.990433 0.128807 O\n0.245424 0.311868 0.723780 O\n0.754576 0.688132 0.276220 O\n0.745424 0.688132 0.776220 O\n0.254576 0.311868 0.223780 O\n0.439895 0.405774 0.667289 O\n0.560105 0.594226 0.332711 O\n0.939895 0.594226 0.832711 O\n0.060105 0.405774 0.167289 O\n0.472165 0.779061 0.550386 O\n0.527835 0.220939 0.449614 O\n0.972165 0.220939 0.949614 O\n0.027835 0.779061 0.050386 O\n0.967101 0.738736 0.537364 O\n0.032899 0.261264 0.462636 O\n0.467101 0.261264 0.962636 O\n0.532899 0.738736 0.037364 O\n0.119085 0.398740 0.915047 O\n0.880915 0.601260 0.084953 O\n0.619085 0.601260 0.584953 O\n0.380915 0.398740 0.415047 O\n0.143085 0.000085 0.616255 O\n0.856915 0.999915 0.383745 O\n0.643085 0.999915 0.883745 O\n0.356915 0.000085 0.116255 O\n0.263743 0.688880 0.798083 O\n0.736257 0.311120 0.201917 O\n0.763743 0.311120 0.701917 O\n0.236257 0.688880 0.298083 O\n0.842153 0.950396 0.885697 O\n0.157847 0.049604 0.114303 O\n0.342153 0.049604 0.614303 O\n0.657847 0.950396 0.385697 O\n",
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"nelements": 4,
"elements": [
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"V",
"O"
],
"chemical_system": "Mg-O-Sr-V",
"density": 3.659560582274237,
"density_atomic": 0.07440744352644418,
"volume": 1182.6773751301516,
"volume_molar": 8.09346548488761,
"formula_full": "Sr8 Mg8 V16 O56",
"formula_reduced": "SrMgV2O7",
"formula_anonymous": "ABC2D7",
"energy": -695.62523006,
"energy_per_atom": -7.904832159772727,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -629.95323006,
"band_gap": 2.7983,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.000175,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:56.509000Z",
"spacegroup": 14
},
{
"id": "mp-11561",
"created_at": "2022-09-04T14:45:42.850704Z",
"structure_string": "Tb1 Rh1\n1.0\n3.446418 0.000000 0.000000\n0.000000 3.446418 0.000000\n0.000000 0.000000 3.446418\nTb Rh\n1 1\ndirect\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 2,
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"elements": [
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],
"chemical_system": "Rh-Tb",
"density": 10.621016009933673,
"density_atomic": 0.04885692686567513,
"volume": 40.93585348703375,
"volume_molar": 12.326073591482704,
"formula_full": "Tb1 Rh1",
"formula_reduced": "TbRh",
"formula_anonymous": "AB",
"energy": -13.70327731,
"energy_per_atom": -6.851638655,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -13.70327731,
"band_gap": 0.0,
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"total_magnetization": 0.000175,
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"updated_at": "2021-11-28T01:37:15.912000Z",
"spacegroup": 221
}
]
}