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{
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"results": [
{
"id": "mp-1046238",
"created_at": "2022-09-04T14:47:58.367696Z",
"structure_string": "Mg1 Sb4 O8\n1.0\n1.588242 8.802610 0.000000\n-1.588242 8.802610 0.000000\n0.000000 4.359653 8.762996\nMg Sb O\n1 4 8\ndirect\n0.303924 0.303924 0.208528 Mg\n0.667310 0.667310 0.527495 Sb\n0.108823 0.108823 0.213252 Sb\n0.849117 0.849117 0.867462 Sb\n0.348326 0.348326 0.510059 Sb\n0.845158 0.845158 0.648627 O\n0.431094 0.431094 0.786599 O\n0.535405 0.535405 0.325337 O\n0.172695 0.172695 0.339901 O\n0.215854 0.215854 0.615277 O\n0.838681 0.838681 0.074437 O\n0.792099 0.792099 0.373063 O\n0.266174 0.266174 0.918753 O\n",
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"volume": 245.0251966556528,
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"formula_full": "Mg1 Sb4 O8",
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"spacegroup": 8
},
{
"id": "mp-1191510",
"created_at": "2022-09-04T14:46:19.608885Z",
"structure_string": "Mg6 Sb12 O6\n1.0\n0.024308 -0.042102 -7.059486\n-4.672010 -8.117867 -0.034312\n-4.694274 8.130722 0.068625\nMg Sb O\n6 12 6\ndirect\n0.961170 0.326880 0.326236 Mg\n0.961170 0.673120 0.999357 Mg\n0.961803 0.000000 0.672463 Mg\n0.038830 0.673120 0.673764 Mg\n0.038830 0.326880 0.000643 Mg\n0.038197 0.000000 0.327537 Mg\n0.000000 0.000000 0.000000 Sb\n0.500000 0.000000 0.000000 Sb\n0.000000 0.666556 0.333278 Sb\n0.000000 0.333444 0.666722 Sb\n0.500000 0.666396 0.333198 Sb\n0.500000 0.333604 0.666802 Sb\n0.543831 0.339872 0.340631 Sb\n0.543831 0.660128 0.000758 Sb\n0.545091 0.000000 0.659917 Sb\n0.456169 0.660128 0.659369 Sb\n0.456169 0.339872 0.999242 Sb\n0.454909 0.000000 0.340083 Sb\n0.157535 0.181317 0.181174 O\n0.157535 0.818683 0.999857 O\n0.156998 0.000000 0.821109 O\n0.842465 0.818683 0.818826 O\n0.842465 0.181317 0.000143 O\n0.843002 0.000000 0.178891 O\n",
"nsites": 24,
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"elements": [
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],
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"density": 5.264373486909526,
"density_atomic": 0.044679454144657044,
"volume": 537.1596511071078,
"volume_molar": 13.478545956497888,
"formula_full": "Mg6 Sb12 O6",
"formula_reduced": "MgSb2O",
"formula_anonymous": "ABC2",
"energy": -105.72776493,
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"updated_at": "2021-11-28T01:37:25.228000Z",
"spacegroup": 162
},
{
"id": "mp-1044623",
"created_at": "2022-09-04T14:39:47.574717Z",
"structure_string": "Mg6 Sb12 O24\n1.0\n6.049220 0.000000 0.000000\n-2.167893 -5.659450 0.000000\n-1.498727 0.462978 -20.416175\nMg Sb O\n6 12 24\ndirect\n0.877370 0.147111 0.941038 Mg\n0.527570 0.451613 0.590896 Mg\n0.506292 0.530750 0.018298 Mg\n0.242777 0.813777 0.312069 Mg\n0.785538 0.183618 0.715462 Mg\n0.413673 0.441482 0.356147 Mg\n0.796709 0.614529 0.829100 Sb\n0.299036 0.706289 0.903924 Sb\n0.446467 0.907207 0.459354 Sb\n0.329562 0.152717 0.815972 Sb\n0.122502 0.804492 0.685152 Sb\n0.900619 0.074692 0.568990 Sb\n0.256417 0.214848 0.208373 Sb\n0.958343 0.487619 0.460922 Sb\n0.601695 0.802394 0.175286 Sb\n0.876756 0.207756 0.323152 Sb\n0.830388 0.318289 0.099296 Sb\n0.147836 0.904776 0.061742 Sb\n0.722422 0.288118 0.866592 O\n0.456342 0.494222 0.791648 O\n0.631051 0.794901 0.937921 O\n0.216424 0.408638 0.951430 O\n0.461842 0.018172 0.746856 O\n0.363376 0.611768 0.511003 O\n0.921834 0.529176 0.745809 O\n0.218020 0.914898 0.969292 O\n0.223825 0.190648 0.610511 O\n0.106451 0.797380 0.417359 O\n0.025173 0.027807 0.740525 O\n0.793642 0.772769 0.620203 O\n0.102895 0.305789 0.406592 O\n0.221334 0.130098 0.303596 O\n0.511274 0.790049 0.374915 O\n0.741954 0.248942 0.618541 O\n0.903884 0.104175 0.038870 O\n0.088432 0.489245 0.279991 O\n0.705593 0.375610 0.381607 O\n0.396336 0.942970 0.219987 O\n0.857165 0.572030 0.035596 O\n0.535043 0.512176 0.231655 O\n0.482165 0.237094 0.079231 O\n0.393974 0.679366 0.095098 O\n",
"nsites": 42,
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"elements": [
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],
"chemical_system": "Mg-O-Sb",
"density": 4.7299693154357625,
"density_atomic": 0.060089875471155546,
"volume": 698.9530211318364,
"volume_molar": 10.021889233055175,
"formula_full": "Mg6 Sb12 O24",
"formula_reduced": "Mg(SbO2)2",
"formula_anonymous": "AB2C4",
"energy": -261.89772429000004,
"energy_per_atom": -6.235660102142858,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:42.065000Z",
"spacegroup": 1
},
{
"id": "mp-1388665",
"created_at": "2022-09-04T14:45:17.689218Z",
"structure_string": "Mg2 Sb4 O8\n1.0\n1.644603 6.652445 0.000000\n-1.644603 6.652445 0.000000\n0.000000 3.634660 9.789229\nMg Sb O\n2 4 8\ndirect\n0.257302 0.257302 0.746930 Mg\n0.742698 0.742698 0.253070 Mg\n0.619264 0.619264 0.603370 Sb\n0.118705 0.118705 0.088807 Sb\n0.881295 0.881295 0.911193 Sb\n0.380736 0.380736 0.396630 Sb\n0.898853 0.898853 0.265862 O\n0.405974 0.405974 0.777341 O\n0.594026 0.594026 0.222659 O\n0.101147 0.101147 0.734138 O\n0.230467 0.230467 0.393431 O\n0.735565 0.735565 0.893764 O\n0.769533 0.769533 0.606569 O\n0.264435 0.264435 0.106236 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
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"O"
],
"chemical_system": "Mg-O-Sb",
"density": 5.144749107400839,
"density_atomic": 0.06535926822721343,
"volume": 214.20068461187063,
"volume_molar": 9.213904811578935,
"formula_full": "Mg2 Sb4 O8",
"formula_reduced": "Mg(SbO2)2",
"formula_anonymous": "AB2C4",
"energy": -88.21328079999999,
"energy_per_atom": -6.300948628571428,
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"total_magnetization": 1.44e-05,
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"updated_at": "2021-11-28T01:36:59.435000Z",
"spacegroup": 12
},
{
"id": "mp-1411280",
"created_at": "2022-09-04T14:43:07.882643Z",
"structure_string": "Mg2 Sb4 O10\n1.0\n3.582783 0.000000 0.000000\n-0.883528 5.216255 0.000000\n-0.923273 -1.908506 13.194359\nMg Sb O\n2 4 10\ndirect\n0.884381 0.886188 0.215034 Mg\n0.142139 0.112153 0.781046 Mg\n0.255075 0.352199 0.106584 Sb\n0.756834 0.645223 0.890630 Sb\n0.796090 0.572020 0.614436 Sb\n0.198946 0.424005 0.382801 Sb\n0.746689 0.415889 0.738741 O\n0.247161 0.578695 0.258221 O\n0.734547 0.593029 0.100383 O\n0.272856 0.407835 0.895120 O\n0.745391 0.558608 0.441424 O\n0.249144 0.434893 0.556553 O\n0.008655 0.069216 0.357004 O\n0.993776 0.925076 0.640385 O\n0.603364 0.934693 0.825088 O\n0.419496 0.066895 0.173040 O\n",
"nsites": 16,
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"elements": [
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],
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"density": 4.684556979947594,
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"volume": 246.58554552554784,
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"formula_full": "Mg2 Sb4 O10",
"formula_reduced": "MgSb2O5",
"formula_anonymous": "AB2C5",
"energy": -99.06299967,
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"updated_at": "2021-11-28T01:36:03.745000Z",
"spacegroup": 1
},
{
"id": "mp-1047380",
"created_at": "2022-09-04T14:43:38.708775Z",
"structure_string": "Mg2 Sb4 O8\n1.0\n1.593736 -5.522354 0.000000\n1.593736 5.522354 0.000000\n0.000000 0.000000 10.952827\nMg Sb O\n2 4 8\ndirect\n0.614961 0.385039 0.750000 Mg\n0.385039 0.614961 0.250000 Mg\n0.131686 0.868314 0.080425 Sb\n0.868314 0.131686 0.919575 Sb\n0.131686 0.868314 0.419575 Sb\n0.868314 0.131686 0.580425 Sb\n0.783499 0.216501 0.375972 O\n0.216501 0.783499 0.624028 O\n0.216501 0.783499 0.875972 O\n0.783499 0.216501 0.124028 O\n0.013904 0.986096 0.250000 O\n0.986096 0.013904 0.750000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.500000 0.500000 O\n",
"nsites": 14,
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],
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"density": 5.715947164785657,
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"volume": 192.79548064242726,
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"formula_full": "Mg2 Sb4 O8",
"formula_reduced": "Mg(SbO2)2",
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"spacegroup": 63
},
{
"id": "mp-676305",
"created_at": "2022-09-04T14:47:43.963174Z",
"structure_string": "Mg8 Sb4 O18\n1.0\n5.245930 0.000000 0.000000\n-0.053005 5.634760 0.000000\n-2.618592 -1.722650 11.441663\nMg Sb O\n8 4 18\ndirect\n0.223230 0.484436 0.420416 Mg\n0.616858 0.328512 0.229889 Mg\n0.534399 0.839456 0.095435 Mg\n0.114116 0.828799 0.232417 Mg\n0.885884 0.171201 0.767583 Mg\n0.465601 0.160544 0.904565 Mg\n0.383142 0.671488 0.770111 Mg\n0.776770 0.515564 0.579584 Mg\n0.285870 0.970519 0.573462 Sb\n0.943790 0.650746 0.893921 Sb\n0.056210 0.349254 0.106079 Sb\n0.714130 0.029481 0.426538 Sb\n0.724290 0.907858 0.834407 O\n0.426425 0.652366 0.596586 O\n0.982328 0.483231 0.263122 O\n0.061422 0.230466 0.502882 O\n0.780759 0.976116 0.271752 O\n0.292945 0.817449 0.932181 O\n0.360550 0.864140 0.403940 O\n0.876654 0.672763 0.057914 O\n0.371733 0.580210 0.166057 O\n0.628267 0.419790 0.833943 O\n0.123346 0.327237 0.942086 O\n0.639450 0.135860 0.596060 O\n0.707055 0.182551 0.067819 O\n0.219241 0.023884 0.728248 O\n0.938578 0.769534 0.497118 O\n0.017672 0.516769 0.736878 O\n0.573575 0.347634 0.403414 O\n0.275710 0.092142 0.165593 O\n",
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"volume": 338.2104842090961,
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"formula_full": "Mg8 Sb4 O18",
"formula_reduced": "Mg4Sb2O9",
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"energy": -195.44560072,
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"spacegroup": 2
},
{
"id": "mp-1366744",
"created_at": "2022-09-04T14:47:41.604324Z",
"structure_string": "Mg6 Sb4 O14\n1.0\n2.760855 -9.424019 0.000000\n2.760855 9.424019 0.000000\n0.000000 0.000000 5.572320\nMg Sb O\n6 4 14\ndirect\n0.255719 0.255719 0.258038 Mg\n0.744281 0.744281 0.758038 Mg\n0.006762 0.409067 0.199622 Mg\n0.993238 0.590933 0.699622 Mg\n0.409067 0.006762 0.199622 Mg\n0.590933 0.993238 0.699622 Mg\n0.842405 0.631887 0.251343 Sb\n0.157595 0.368113 0.751343 Sb\n0.368113 0.157595 0.751343 Sb\n0.631887 0.842405 0.251343 Sb\n0.654382 0.068595 0.325744 O\n0.345618 0.931405 0.825744 O\n0.931405 0.345618 0.825744 O\n0.068595 0.654382 0.325744 O\n0.437562 0.726316 0.941736 O\n0.562438 0.273684 0.441736 O\n0.273684 0.562438 0.441736 O\n0.726316 0.437562 0.941736 O\n0.993656 0.157160 0.096182 O\n0.006344 0.842840 0.596182 O\n0.587401 0.587401 0.092707 O\n0.412599 0.412599 0.592707 O\n0.157160 0.993656 0.096182 O\n0.842840 0.006344 0.596182 O\n",
"nsites": 24,
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"volume": 289.9651438792591,
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"formula_full": "Mg6 Sb4 O14",
"formula_reduced": "Mg3Sb2O7",
"formula_anonymous": "A2B3C7",
"energy": -150.89231267,
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"spacegroup": 36
},
{
"id": "mp-1047570",
"created_at": "2022-09-04T14:47:25.147156Z",
"structure_string": "Mg4 Sb8 O16\n1.0\n3.393161 0.000000 0.000000\n0.000000 10.719247 0.000000\n0.000000 0.000000 10.969047\nMg Sb O\n4 8 16\ndirect\n0.834016 0.750000 0.383352 Mg\n0.834016 0.250000 0.116648 Mg\n0.165984 0.750000 0.883352 Mg\n0.165984 0.250000 0.616648 Mg\n0.391576 0.588445 0.123954 Sb\n0.391576 0.088445 0.376046 Sb\n0.608424 0.088445 0.876046 Sb\n0.391576 0.411555 0.376046 Sb\n0.608424 0.411555 0.876046 Sb\n0.391576 0.911555 0.123954 Sb\n0.608424 0.911555 0.623954 Sb\n0.608424 0.588445 0.623954 Sb\n0.631616 0.877416 0.952046 O\n0.368384 0.122584 0.047954 O\n0.744519 0.000000 0.250000 O\n0.368384 0.877416 0.452046 O\n0.368384 0.622584 0.452046 O\n0.650203 0.250000 0.295163 O\n0.631616 0.122584 0.547954 O\n0.349797 0.250000 0.795163 O\n0.744519 0.500000 0.250000 O\n0.255481 0.000000 0.750000 O\n0.631616 0.622584 0.952046 O\n0.349797 0.750000 0.704837 O\n0.650203 0.750000 0.204837 O\n0.255481 0.500000 0.750000 O\n0.631616 0.377416 0.547954 O\n0.368384 0.377416 0.047954 O\n",
"nsites": 28,
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"formula_full": "Mg4 Sb8 O16",
"formula_reduced": "Mg(SbO2)2",
"formula_anonymous": "AB2C4",
"energy": -169.91535441,
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"spacegroup": 57
},
{
"id": "mp-1041114",
"created_at": "2022-09-04T14:47:25.494451Z",
"structure_string": "Mg2 Sb8 O18\n1.0\n9.302024 0.000000 0.000000\n0.000000 9.302024 0.000000\n0.000000 0.000000 5.097955\nMg Sb O\n2 8 18\ndirect\n0.500000 0.000000 0.092082 Mg\n0.000000 0.500000 0.907918 Mg\n0.580700 0.274028 0.641625 Sb\n0.725972 0.580700 0.358375 Sb\n0.225972 0.080700 0.641625 Sb\n0.080700 0.774028 0.358375 Sb\n0.419300 0.725972 0.641625 Sb\n0.774028 0.919300 0.641625 Sb\n0.919300 0.225972 0.358375 Sb\n0.274028 0.419300 0.358375 Sb\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.213358 0.442499 0.005084 O\n0.942499 0.286642 0.005084 O\n0.057501 0.713358 0.005084 O\n0.786642 0.557501 0.005084 O\n0.286642 0.057501 0.994916 O\n0.557501 0.213358 0.994916 O\n0.442499 0.786642 0.994916 O\n0.713358 0.942499 0.994916 O\n0.608077 0.806592 0.478815 O\n0.306592 0.891923 0.478815 O\n0.693408 0.108077 0.478815 O\n0.391923 0.193408 0.478815 O\n0.108077 0.306592 0.521185 O\n0.193408 0.608077 0.521185 O\n0.806592 0.391923 0.521185 O\n0.891923 0.693408 0.521185 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
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"Sb",
"O"
],
"chemical_system": "Mg-O-Sb",
"density": 4.933948316007595,
"density_atomic": 0.06347564496417307,
"volume": 441.114068487272,
"volume_molar": 9.487325041595115,
"formula_full": "Mg2 Sb8 O18",
"formula_reduced": "MgSb4O9",
"formula_anonymous": "AB4C9",
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"energy_per_atom": -6.065182752142859,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -157.45911706,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012253,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:10.799000Z",
"spacegroup": 85
},
{
"id": "mp-3653",
"created_at": "2022-09-04T14:42:40.786720Z",
"structure_string": "Mg2 Sb4 O12\n1.0\n4.728891 0.000000 0.000000\n0.000000 4.728891 0.000000\n0.000000 0.000000 9.385383\nMg Sb O\n2 4 12\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.500000 0.500000 0.832338 Sb\n0.000000 0.000000 0.332338 Sb\n0.500000 0.500000 0.167662 Sb\n0.000000 0.000000 0.667662 Sb\n0.697599 0.697599 0.671429 O\n0.302401 0.302401 0.671429 O\n0.697599 0.697599 0.328571 O\n0.197599 0.802401 0.171429 O\n0.802401 0.197599 0.171429 O\n0.802401 0.197599 0.828571 O\n0.310180 0.310180 0.000000 O\n0.189820 0.810180 0.500000 O\n0.810180 0.189820 0.500000 O\n0.689820 0.689820 0.000000 O\n0.302401 0.302401 0.328571 O\n0.197599 0.802401 0.828571 O\n",
"nsites": 18,
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"elements": [
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"O"
],
"chemical_system": "Mg-O-Sb",
"density": 5.7570065863432625,
"density_atomic": 0.08576338178036953,
"volume": 209.87978349659758,
"volume_molar": 7.021808882749088,
"formula_full": "Mg2 Sb4 O12",
"formula_reduced": "Mg(SbO3)2",
"formula_anonymous": "AB2C6",
"energy": -119.1833789,
"energy_per_atom": -6.621298827777777,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -110.9393789,
"band_gap": 1.0374999999999996,
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"is_magnetic": false,
"total_magnetization": 0.0019437,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:54.014000Z",
"spacegroup": 136
},
{
"id": "mp-1047763",
"created_at": "2022-09-04T14:42:37.829412Z",
"structure_string": "Mg2 Sb4 O8\n1.0\n-3.144247 3.522423 4.598926\n3.144247 -3.522423 4.598926\n3.144247 3.522423 -4.598926\nMg Sb O\n2 4 8\ndirect\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.604575 0.854575 0.750000 Sb\n0.395425 0.145425 0.250000 Sb\n0.000000 0.500000 0.500000 Sb\n0.500000 0.500000 0.000000 Sb\n0.804633 0.257672 0.546960 O\n0.245385 0.749218 0.003833 O\n0.210712 0.257672 0.953040 O\n0.245385 0.241552 0.496167 O\n0.754615 0.758448 0.503833 O\n0.754615 0.250782 0.996167 O\n0.789288 0.742328 0.046960 O\n0.195367 0.742328 0.453040 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
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"Sb",
"O"
],
"chemical_system": "Mg-O-Sb",
"density": 5.408919011669323,
"density_atomic": 0.06871530197544883,
"volume": 203.7391905081351,
"volume_molar": 8.763900596917468,
"formula_full": "Mg2 Sb4 O8",
"formula_reduced": "Mg(SbO2)2",
"formula_anonymous": "AB2C4",
"energy": -85.36820052,
"energy_per_atom": -6.097728608571429,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -79.87220052,
"band_gap": 0.8506,
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"total_magnetization": 0.0002523,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.539000Z",
"spacegroup": 74
}
]
}