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{
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"results": [
{
"id": "mp-1214810",
"created_at": "2022-09-04T14:48:04.176296Z",
"structure_string": "As2 Pb2 O8\n1.0\n-4.969656 0.000000 0.394648\n-0.090357 0.000000 -6.069918\n0.000000 -6.008886 0.000000\nAs Pb O\n2 2 8\ndirect\n0.000000 0.750000 0.743694 As\n0.000000 0.250000 0.256306 As\n0.500000 0.750000 0.270565 Pb\n0.500000 0.250000 0.729435 Pb\n0.819498 0.924849 0.910443 O\n0.180502 0.075151 0.089557 O\n0.180502 0.575151 0.910443 O\n0.819498 0.424849 0.089557 O\n0.758646 0.604761 0.590294 O\n0.241354 0.395239 0.409706 O\n0.241354 0.895239 0.590294 O\n0.758646 0.104761 0.409706 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"As",
"Pb",
"O"
],
"chemical_system": "As-O-Pb",
"density": 6.33415346768858,
"density_atomic": 0.06612490227247417,
"volume": 181.4747483565695,
"volume_molar": 9.107220658240337,
"formula_full": "As2 Pb2 O8",
"formula_reduced": "AsPbO4",
"formula_anonymous": "ABC4",
"energy": -74.33611432,
"energy_per_atom": -6.194676193333333,
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"updated_at": "2021-11-28T01:38:21.756000Z",
"spacegroup": 13
},
{
"id": "mp-1194576",
"created_at": "2022-09-04T14:48:04.184390Z",
"structure_string": "Rb12 Sb8 Br36\n1.0\n7.945635 0.000000 0.000000\n0.000000 14.000399 0.000000\n0.000000 13.923359 19.602681\nRb Sb Br\n12 8 36\ndirect\n0.484256 0.242316 0.234884 Rb\n0.015744 0.242316 0.734884 Rb\n0.515744 0.757684 0.765116 Rb\n0.984256 0.757684 0.265116 Rb\n0.502265 0.252466 0.574646 Rb\n0.997735 0.252466 0.074646 Rb\n0.497735 0.747534 0.425354 Rb\n0.002265 0.747534 0.925354 Rb\n0.512915 0.744102 0.096435 Rb\n0.987085 0.744102 0.596435 Rb\n0.487085 0.255898 0.903565 Rb\n0.012915 0.255898 0.403565 Rb\n0.505162 0.490363 0.342905 Sb\n0.994838 0.490363 0.842905 Sb\n0.494838 0.509637 0.657095 Sb\n0.005162 0.509637 0.157095 Sb\n0.500598 0.992134 0.844602 Sb\n0.999402 0.992134 0.344602 Sb\n0.499402 0.007866 0.155398 Sb\n0.000598 0.007866 0.655398 Sb\n0.935290 0.250258 0.252538 Br\n0.564710 0.250258 0.752538 Br\n0.064710 0.749742 0.747462 Br\n0.435290 0.749742 0.247462 Br\n0.959775 0.244453 0.579136 Br\n0.540225 0.244453 0.079136 Br\n0.040225 0.755547 0.420864 Br\n0.459775 0.755547 0.920864 Br\n0.050839 0.744103 0.078715 Br\n0.449161 0.744103 0.578715 Br\n0.949161 0.255897 0.921285 Br\n0.550839 0.255897 0.421285 Br\n0.206775 0.021066 0.562883 Br\n0.293225 0.021066 0.062883 Br\n0.793225 0.978934 0.437117 Br\n0.706775 0.978934 0.937117 Br\n0.209546 0.480431 0.077966 Br\n0.290454 0.480431 0.577966 Br\n0.790454 0.519569 0.922034 Br\n0.709546 0.519569 0.422034 Br\n0.223812 0.023383 0.898006 Br\n0.276188 0.023383 0.398006 Br\n0.776188 0.976617 0.101994 Br\n0.723812 0.976617 0.601994 Br\n0.229543 0.472708 0.414612 Br\n0.270457 0.472708 0.914612 Br\n0.770457 0.527292 0.585388 Br\n0.729543 0.527292 0.085388 Br\n0.201789 0.030416 0.224863 Br\n0.298211 0.030416 0.724863 Br\n0.798211 0.969584 0.775137 Br\n0.701789 0.969584 0.275137 Br\n0.191083 0.464160 0.744821 Br\n0.308917 0.464160 0.244821 Br\n0.808917 0.535840 0.255179 Br\n0.691083 0.535840 0.755179 Br\n",
"nsites": 56,
"nelements": 3,
"elements": [
"Rb",
"Sb",
"Br"
],
"chemical_system": "Br-Rb-Sb",
"density": 3.713209560844516,
"density_atomic": 0.025680503276801395,
"volume": 2180.6426220076405,
"volume_molar": 23.450244316045513,
"formula_full": "Rb12 Sb8 Br36",
"formula_reduced": "Rb3Sb2Br9",
"formula_anonymous": "A2B3C9",
"energy": -188.20799414,
"energy_per_atom": -3.3608570382142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -168.98399414,
"band_gap": 2.1855,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:28.750000Z",
"spacegroup": 14
},
{
"id": "mp-1074665",
"created_at": "2022-09-04T14:48:04.192268Z",
"structure_string": "Mg8 Si4\n1.0\n5.630926 0.000000 0.000000\n2.347529 6.638139 0.000000\n2.658710 1.421220 6.760106\nMg Si\n8 4\ndirect\n0.521106 0.190225 0.266282 Mg\n0.503925 0.256845 0.652009 Mg\n0.012117 0.417853 0.053523 Mg\n0.552434 0.499327 0.900716 Mg\n0.989883 0.500590 0.472305 Mg\n0.022443 0.010356 0.416030 Mg\n0.515019 0.669325 0.271821 Mg\n0.009008 0.073417 0.847177 Mg\n0.741542 0.818870 0.835234 Si\n0.363816 0.043936 0.040332 Si\n0.215478 0.664426 0.676506 Si\n0.553338 0.854719 0.568533 Si\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.0160407393626327,
"density_atomic": 0.04748993532031948,
"volume": 252.6851198903522,
"volume_molar": 12.680877999476474,
"formula_full": "Mg8 Si4",
"formula_reduced": "Mg2Si",
"formula_anonymous": "AB2",
"energy": -33.136915450000004,
"energy_per_atom": -2.7614096208333336,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -33.42091545,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0053219,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:22.483000Z",
"spacegroup": 1
},
{
"id": "mp-1099281",
"created_at": "2022-09-04T14:48:04.194286Z",
"structure_string": "Mg6 Fe1 Mo1\n1.0\n2.960999 -5.280928 0.000000\n2.960999 5.280928 0.000000\n0.000000 0.000000 4.817388\nMg Fe Mo\n6 1 1\ndirect\n0.329976 0.167332 0.500000 Mg\n0.832668 0.670024 0.500000 Mg\n0.162127 0.341628 0.000000 Mg\n0.658372 0.837873 0.000000 Mg\n0.677151 0.322849 0.000000 Mg\n0.176763 0.823237 0.000000 Mg\n0.832672 0.167328 0.500000 Fe\n0.330275 0.669725 0.500000 Mo\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Fe",
"Mo"
],
"chemical_system": "Fe-Mg-Mo",
"density": 3.280301665031593,
"density_atomic": 0.05310065250450235,
"volume": 150.6572824000927,
"volume_molar": 11.340992014155361,
"formula_full": "Mg6 Fe1 Mo1",
"formula_reduced": "Mg6FeMo",
"formula_anonymous": "ABC6",
"energy": -26.40047526,
"energy_per_atom": -3.3000594075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -26.40047526,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 1.7393572,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:20.388000Z",
"spacegroup": 38
},
{
"id": "mp-1202769",
"created_at": "2022-09-04T14:48:04.226016Z",
"structure_string": "Rb16 Nb16 Si16 O88\n1.0\n7.439093 0.000000 0.000000\n0.000000 7.439093 0.000000\n0.000000 0.000000 39.690828\nRb Nb Si O\n16 16 16 88\ndirect\n0.012335 0.535114 0.572691 Rb\n0.987665 0.464886 0.072691 Rb\n0.464886 0.012335 0.322691 Rb\n0.535114 0.987665 0.822691 Rb\n0.987665 0.535114 0.427309 Rb\n0.012335 0.464886 0.927309 Rb\n0.535114 0.012335 0.677309 Rb\n0.464886 0.987665 0.177309 Rb\n0.033600 0.033600 0.625000 Rb\n0.966400 0.966400 0.125000 Rb\n0.966400 0.033600 0.375000 Rb\n0.033600 0.966400 0.875000 Rb\n0.629903 0.500000 0.750000 Rb\n0.370097 0.500000 0.250000 Rb\n0.500000 0.629903 0.500000 Rb\n0.500000 0.370097 0.000000 Rb\n0.275156 0.499873 0.661578 Nb\n0.724844 0.500127 0.161578 Nb\n0.500127 0.275156 0.411578 Nb\n0.499873 0.724844 0.911578 Nb\n0.724844 0.499873 0.338422 Nb\n0.275156 0.500127 0.838422 Nb\n0.499873 0.275156 0.588422 Nb\n0.500127 0.724844 0.088422 Nb\n0.769998 0.500045 0.655963 Nb\n0.230002 0.499955 0.155963 Nb\n0.499955 0.769998 0.405963 Nb\n0.500045 0.230002 0.905963 Nb\n0.230002 0.500045 0.344037 Nb\n0.769998 0.499955 0.844037 Nb\n0.500045 0.769998 0.594037 Nb\n0.499955 0.230002 0.094037 Nb\n0.004924 0.779880 0.709554 Si\n0.995076 0.220120 0.209554 Si\n0.220120 0.004924 0.459554 Si\n0.779880 0.995076 0.959554 Si\n0.995076 0.779880 0.290446 Si\n0.004924 0.220120 0.790446 Si\n0.779880 0.004924 0.540446 Si\n0.220120 0.995076 0.040446 Si\n0.005033 0.214575 0.708754 Si\n0.994967 0.785425 0.208754 Si\n0.785425 0.005033 0.458754 Si\n0.214575 0.994967 0.958754 Si\n0.994967 0.214575 0.291246 Si\n0.005033 0.785425 0.791246 Si\n0.214575 0.005033 0.541246 Si\n0.785425 0.994967 0.041246 Si\n0.823922 0.693934 0.693068 O\n0.176078 0.306066 0.193068 O\n0.306066 0.823922 0.443068 O\n0.693934 0.176078 0.943068 O\n0.176078 0.693934 0.306932 O\n0.823922 0.306066 0.806932 O\n0.693934 0.823922 0.556932 O\n0.306066 0.176078 0.056932 O\n0.189466 0.691968 0.694912 O\n0.810534 0.308032 0.194912 O\n0.308032 0.189466 0.444912 O\n0.691968 0.810534 0.944912 O\n0.810534 0.691968 0.305088 O\n0.189466 0.308032 0.805088 O\n0.691968 0.189466 0.555088 O\n0.308032 0.810534 0.055088 O\n0.991440 0.755360 0.750517 O\n0.008560 0.244640 0.250517 O\n0.244640 0.991440 0.500517 O\n0.755360 0.008560 0.000517 O\n0.008560 0.755360 0.249483 O\n0.991440 0.244640 0.749483 O\n0.755360 0.991440 0.499483 O\n0.244640 0.008560 0.999483 O\n0.007824 0.996706 0.700602 O\n0.992176 0.003294 0.200602 O\n0.003294 0.007824 0.450602 O\n0.996706 0.992176 0.950602 O\n0.992176 0.996706 0.299398 O\n0.007824 0.003294 0.799398 O\n0.996706 0.007824 0.549398 O\n0.003294 0.992176 0.049398 O\n0.824453 0.296407 0.691270 O\n0.175547 0.703593 0.191270 O\n0.703593 0.824453 0.441270 O\n0.296407 0.175547 0.941270 O\n0.175547 0.296407 0.308730 O\n0.824453 0.703593 0.808730 O\n0.296407 0.824453 0.558730 O\n0.703593 0.175547 0.058730 O\n0.189298 0.299055 0.693182 O\n0.810702 0.700945 0.193182 O\n0.700945 0.189298 0.443182 O\n0.299055 0.810702 0.943182 O\n0.810702 0.299055 0.306818 O\n0.189298 0.700945 0.806818 O\n0.299055 0.189298 0.556818 O\n0.700945 0.810702 0.056818 O\n0.694981 0.323004 0.622337 O\n0.305019 0.676996 0.122337 O\n0.676996 0.694981 0.372337 O\n0.323004 0.305019 0.872337 O\n0.305019 0.323004 0.377663 O\n0.694981 0.676996 0.877663 O\n0.323004 0.694981 0.627663 O\n0.676996 0.305019 0.127663 O\n0.514393 0.495479 0.677768 O\n0.485607 0.504521 0.177768 O\n0.504521 0.514393 0.427768 O\n0.495479 0.485607 0.927768 O\n0.485607 0.495479 0.322232 O\n0.514393 0.504521 0.822232 O\n0.495479 0.514393 0.572232 O\n0.504521 0.485607 0.072232 O\n0.323809 0.323809 0.625000 O\n0.676191 0.676191 0.125000 O\n0.676191 0.323809 0.375000 O\n0.323809 0.676191 0.875000 O\n0.012790 0.499419 0.642828 O\n0.987210 0.500581 0.142828 O\n0.500581 0.012790 0.392828 O\n0.499419 0.987210 0.892828 O\n0.987210 0.499419 0.357172 O\n0.012790 0.500581 0.857172 O\n0.499419 0.012790 0.607172 O\n0.500581 0.987210 0.107172 O\n0.694440 0.694440 0.625000 O\n0.305560 0.305560 0.125000 O\n0.305560 0.694440 0.375000 O\n0.694440 0.305560 0.875000 O\n0.395091 0.916580 0.749552 O\n0.604909 0.083420 0.249552 O\n0.083420 0.395091 0.499552 O\n0.916580 0.604909 0.999552 O\n0.604909 0.916580 0.250448 O\n0.395091 0.083420 0.750448 O\n0.916580 0.395091 0.500448 O\n0.083420 0.604909 0.000448 O\n",
"nsites": 136,
"nelements": 4,
"elements": [
"Rb",
"Nb",
"Si",
"O"
],
"chemical_system": "Nb-O-Rb-Si",
"density": 3.561721137425281,
"density_atomic": 0.061916838542016024,
"volume": 2196.4945756671996,
"volume_molar": 9.726176112679667,
"formula_full": "Rb16 Nb16 Si16 O88",
"formula_reduced": "Rb2Nb2Si2O11",
"formula_anonymous": "A2B2C2D11",
"energy": -1045.68810758,
"energy_per_atom": -7.688883143970588,
"energy_above_hull": null,
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"energy_uncorrected": -1031.52010758,
"band_gap": 0.5739000000000001,
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"total_magnetization": 7.9987137,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:23.665000Z",
"spacegroup": 95
},
{
"id": "mp-30558",
"created_at": "2022-09-04T14:48:04.226078Z",
"structure_string": "Ho3 Co9\n1.0\n8.226450 -2.477828 0.000000\n8.226450 2.477828 0.000000\n7.480122 0.000000 4.226332\nHo Co\n3 9\ndirect\n0.000000 0.000000 0.000000 Ho\n0.860272 0.860272 0.860272 Ho\n0.139728 0.139728 0.139728 Ho\n0.500000 0.500000 0.500000 Co\n0.665083 0.665083 0.665083 Co\n0.334917 0.334917 0.334917 Co\n0.417300 0.921331 0.417300 Co\n0.417300 0.417300 0.921331 Co\n0.921331 0.417300 0.417300 Co\n0.582700 0.078669 0.582700 Co\n0.582700 0.582700 0.078669 Co\n0.078669 0.582700 0.582700 Co\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ho",
"Co"
],
"chemical_system": "Co-Ho",
"density": 9.880436095174586,
"density_atomic": 0.0696472577732271,
"volume": 172.2968051243632,
"volume_molar": 8.646630107976705,
"formula_full": "Ho3 Co9",
"formula_reduced": "HoCo3",
"formula_anonymous": "AB3",
"energy": -80.0194671,
"energy_per_atom": -6.668288925,
"energy_above_hull": null,
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"energy_uncorrected": -80.0194671,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:38:23.485000Z",
"spacegroup": 166
},
{
"id": "mp-1101151",
"created_at": "2022-09-04T14:48:04.226571Z",
"structure_string": "Na1 Ho1 O2\n1.0\n5.649261 -1.705187 0.000000\n5.649261 1.705187 0.000000\n5.134563 0.000000 2.908277\nNa Ho O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ho\n0.736867 0.736867 0.736867 O\n0.263133 0.263133 0.263133 O\n",
"nsites": 4,
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"elements": [
"Na",
"Ho",
"O"
],
"chemical_system": "Ho-Na-O",
"density": 6.517517614044751,
"density_atomic": 0.07138888090899438,
"volume": 56.03113466786442,
"volume_molar": 8.435684497809886,
"formula_full": "Na1 Ho1 O2",
"formula_reduced": "NaHoO2",
"formula_anonymous": "ABC2",
"energy": -28.4750999,
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"energy_above_hull": null,
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"energy_uncorrected": -27.1010999,
"band_gap": 4.0758,
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"updated_at": "2021-11-28T01:38:27.651000Z",
"spacegroup": 166
},
{
"id": "mp-641754",
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