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{
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"results": [
{
"id": "mp-1016346",
"created_at": "2022-09-04T14:41:17.034114Z",
"structure_string": "Ce1 Mg7\n1.0\n3.377676 -5.850307 0.000000\n3.377676 5.850307 0.000000\n0.000000 0.000000 5.207172\nCe Mg\n1 7\ndirect\n0.666667 0.333333 0.000000 Ce\n0.170647 0.341295 0.000000 Mg\n0.170647 0.829353 0.000000 Mg\n0.658705 0.829353 0.000000 Mg\n0.007001 0.503500 0.500000 Mg\n0.496500 0.503500 0.500000 Mg\n0.496500 0.992999 0.500000 Mg\n0.000000 0.000000 0.500000 Mg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ce",
"Mg"
],
"chemical_system": "Ce-Mg",
"density": 2.5034200366651373,
"density_atomic": 0.03887419630534437,
"volume": 205.79203585747626,
"volume_molar": 15.491357590258618,
"formula_full": "Ce1 Mg7",
"formula_reduced": "CeMg7",
"formula_anonymous": "AB7",
"energy": -16.54038938,
"energy_per_atom": -2.0675486725,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:18.441000Z",
"spacegroup": 187
},
{
"id": "mp-1185651",
"created_at": "2022-09-04T14:41:17.070326Z",
"structure_string": "Mg16 Al12 Cd1\n1.0\n5.273969 -7.424299 0.000000\n5.273969 7.424299 0.000000\n-5.177405 0.000000 7.491958\nMg Al Cd\n16 12 1\ndirect\n0.314993 0.314993 0.712057 Mg\n0.001451 0.001451 0.001451 Mg\n0.001431 0.001431 0.654985 Mg\n0.598929 0.598929 0.291813 Mg\n0.681645 0.401188 0.999602 Mg\n0.598929 0.291813 0.598929 Mg\n0.999602 0.681645 0.401188 Mg\n0.001431 0.654985 0.001431 Mg\n0.712057 0.314993 0.314993 Mg\n0.401188 0.999602 0.681645 Mg\n0.999602 0.401188 0.681645 Mg\n0.314993 0.712057 0.314993 Mg\n0.654985 0.001431 0.001431 Mg\n0.681645 0.999602 0.401188 Mg\n0.291813 0.598929 0.598929 Mg\n0.401188 0.681645 0.999602 Mg\n0.815331 0.815331 0.186064 Al\n0.639269 0.639269 0.826129 Al\n0.366280 0.182284 0.995123 Al\n0.182284 0.995123 0.366280 Al\n0.826129 0.639269 0.639269 Al\n0.186064 0.815331 0.815331 Al\n0.366280 0.995123 0.182284 Al\n0.995123 0.366280 0.182284 Al\n0.815331 0.186064 0.815331 Al\n0.639269 0.826129 0.639269 Al\n0.995123 0.182284 0.366280 Al\n0.182284 0.366280 0.995123 Al\n0.335356 0.335356 0.335356 Cd\n",
"nsites": 29,
"nelements": 3,
"elements": [
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"Al",
"Cd"
],
"chemical_system": "Al-Cd-Mg",
"density": 2.3351847978799425,
"density_atomic": 0.04942875156342887,
"volume": 586.7030641626885,
"volume_molar": 12.18347736796904,
"formula_full": "Mg16 Al12 Cd1",
"formula_reduced": "Mg16Al12Cd",
"formula_anonymous": "AB12C16",
"energy": -72.11701615,
"energy_per_atom": -2.4867936603448273,
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"energy_uncorrected": -72.11701615,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.001567,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.529000Z",
"spacegroup": 160
},
{
"id": "mp-1323723",
"created_at": "2022-09-04T14:41:20.366637Z",
"structure_string": "Mo6 O16\n1.0\n3.073193 -5.322926 0.000000\n3.073193 5.322926 0.000000\n0.000000 0.000000 9.875619\nMo O\n6 16\ndirect\n0.663151 0.831575 0.248453 Mo\n0.831575 0.168425 0.748453 Mo\n0.168425 0.336849 0.248453 Mo\n0.831575 0.663151 0.748453 Mo\n0.336849 0.168425 0.748453 Mo\n0.168425 0.831575 0.248453 Mo\n0.850613 0.149387 0.152084 O\n0.701227 0.850613 0.652084 O\n0.149387 0.298773 0.652084 O\n0.850613 0.701227 0.152084 O\n0.298773 0.149387 0.152084 O\n0.149387 0.850613 0.652084 O\n0.520137 0.479863 0.853200 O\n0.040273 0.520137 0.353200 O\n0.479863 0.959727 0.353200 O\n0.520137 0.040273 0.853200 O\n0.000000 0.000000 0.358738 O\n0.000000 0.000000 0.858738 O\n0.333333 0.666667 0.135196 O\n0.959727 0.479863 0.853200 O\n0.479863 0.520137 0.353200 O\n0.666667 0.333333 0.635196 O\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Mo",
"O"
],
"chemical_system": "Mo-O",
"density": 4.274101857833662,
"density_atomic": 0.06809074637310379,
"volume": 323.09823539678683,
"volume_molar": 8.844286603941205,
"formula_full": "Mo6 O16",
"formula_reduced": "Mo3O8",
"formula_anonymous": "A3B8",
"energy": -180.02832334000004,
"energy_per_atom": -8.183105606363638,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -149.82432334,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 4.0286466,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:17.466000Z",
"spacegroup": 186
},
{
"id": "mp-1226495",
"created_at": "2022-09-04T14:41:20.386911Z",
"structure_string": "Ce1 Y1 Mg4\n1.0\n0.000000 4.263676 4.263676\n4.263676 0.000000 4.263676\n4.263676 4.263676 0.000000\nCe Y Mg\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Ce\n0.000000 0.000000 0.000000 Y\n0.124951 0.625016 0.625016 Mg\n0.625016 0.124951 0.625016 Mg\n0.625016 0.625016 0.124951 Mg\n0.625016 0.625016 0.625016 Mg\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Y",
"Mg"
],
"chemical_system": "Ce-Mg-Y",
"density": 3.494670132465815,
"density_atomic": 0.038705142436048265,
"volume": 155.01816095661397,
"volume_molar": 15.55901976061776,
"formula_full": "Ce1 Y1 Mg4",
"formula_reduced": "CeYMg4",
"formula_anonymous": "ABC4",
"energy": -19.01371549,
"energy_per_atom": -3.1689525816666664,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -19.01371549,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0358444,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:19.396000Z",
"spacegroup": 216
},
{
"id": "mp-882809",
"created_at": "2022-09-04T14:41:20.525883Z",
"structure_string": "Li12 Mn2 V6 P12 O48\n1.0\n8.582308 0.000000 0.000000\n-4.152224 -7.623148 0.000000\n-4.089406 2.200181 -14.454144\nLi Mn V P O\n12 2 6 12 48\ndirect\n0.753390 0.694754 0.318702 Li\n0.739708 0.821495 0.547150 Li\n0.740493 0.323870 0.045319 Li\n0.261973 0.837473 0.191922 Li\n0.687278 0.792683 0.833384 Li\n0.683121 0.282525 0.336794 Li\n0.248319 0.714646 0.646346 Li\n0.250879 0.231392 0.141558 Li\n0.761933 0.211106 0.818129 Li\n0.249021 0.327000 0.686664 Li\n0.180729 0.642344 0.975872 Li\n0.182184 0.147388 0.472352 Li\n0.856014 0.216340 0.572516 Mn\n0.135442 0.277109 0.925160 Mn\n0.857623 0.714498 0.072821 V\n0.357322 0.970107 0.820298 V\n0.636367 0.526570 0.680274 V\n0.358388 0.464569 0.320653 V\n0.137453 0.784389 0.424474 V\n0.639408 0.030925 0.180414 V\n0.947902 0.985345 0.734330 P\n0.952278 0.483851 0.236691 P\n0.251069 0.978516 0.023792 P\n0.537042 0.894006 0.374992 P\n0.453777 0.600438 0.124286 P\n0.746197 0.518591 0.476935 P\n0.245665 0.475604 0.523548 P\n0.535839 0.401267 0.876493 P\n0.452927 0.095270 0.621453 P\n0.751105 0.023578 0.975337 P\n0.043760 0.515879 0.765904 P\n0.042491 0.014081 0.261862 P\n0.844919 0.986798 0.237102 O\n0.914481 0.536785 0.138021 O\n0.940710 0.600919 0.309063 O\n0.678347 0.978941 0.470955 O\n0.902665 0.700008 0.465310 O\n0.648458 0.656787 0.117953 O\n0.445018 0.768972 0.150523 O\n0.546008 0.726301 0.347253 O\n0.789240 0.791043 0.724736 O\n0.790000 0.293515 0.230720 O\n0.092525 0.792594 0.032073 O\n0.334526 0.838449 0.368724 O\n0.055724 0.897398 0.190420 O\n0.300341 0.000520 0.527426 O\n0.806182 0.878636 0.989647 O\n0.686081 0.564508 0.555201 O\n0.293673 0.500282 0.034477 O\n0.409655 0.968964 0.694730 O\n0.594309 0.951000 0.879297 O\n0.803365 0.374198 0.491793 O\n0.694277 0.073071 0.054323 O\n0.079526 0.965538 0.361419 O\n0.427368 0.477050 0.199938 O\n0.589489 0.439770 0.380890 O\n0.841904 0.481252 0.738771 O\n0.142715 0.497259 0.260976 O\n0.401870 0.548508 0.618878 O\n0.406459 0.052419 0.119397 O\n0.921473 0.042130 0.635798 O\n0.576899 0.529155 0.803143 O\n0.311518 0.938147 0.944898 O\n0.187872 0.618946 0.509047 O\n0.581817 0.025877 0.303571 O\n0.301028 0.425943 0.444502 O\n0.191295 0.121566 0.010370 O\n0.924147 0.094624 0.804318 O\n0.683177 0.488749 0.971406 O\n0.912258 0.207431 0.965535 O\n0.651490 0.146349 0.622330 O\n0.190422 0.710720 0.768213 O\n0.194851 0.205677 0.262679 O\n0.443064 0.263797 0.646387 O\n0.544248 0.233264 0.848411 O\n0.085793 0.289851 0.533855 O\n0.335246 0.348439 0.873885 O\n0.066117 0.406913 0.695139 O\n0.075471 0.463606 0.864811 O\n0.142704 0.006723 0.764261 O\n",
"nsites": 80,
"nelements": 5,
"elements": [
"Li",
"Mn",
"V",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P-V",
"density": 2.8771180175443725,
"density_atomic": 0.08459781809692496,
"volume": 945.6508666493364,
"volume_molar": 7.118553285972867,
"formula_full": "Li12 Mn2 V6 P12 O48",
"formula_reduced": "Li6MnV3(PO4)6",
"formula_anonymous": "AB3C6D6E24",
"energy": -611.4200485700001,
"energy_per_atom": -7.642750607125,
"energy_above_hull": null,
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"energy_uncorrected": -564.90804857,
"band_gap": 0.6058999999999999,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:19.231000Z",
"spacegroup": 1
},
{
"id": "mp-550679",
"created_at": "2022-09-04T14:41:20.527598Z",
"structure_string": "Rb4 C1 O4\n1.0\n-2.774510 3.223975 5.231569\n2.774510 -3.223975 5.231569\n2.774510 3.223975 -5.231569\nRb C O\n4 1 4\ndirect\n0.880847 0.466000 0.059483 Rb\n0.406516 0.821364 0.940517 Rb\n0.119153 0.178636 0.585153 Rb\n0.593484 0.534000 0.414847 Rb\n0.000000 0.000000 0.000000 C\n0.046859 0.770377 0.980692 O\n0.953141 0.933833 0.723518 O\n0.210315 0.229623 0.276482 O\n0.789685 0.066167 0.019308 O\n",
"nsites": 9,
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"elements": [
"Rb",
"C",
"O"
],
"chemical_system": "C-O-Rb",
"density": 3.707065460059713,
"density_atomic": 0.04808090134418116,
"volume": 187.18451086377559,
"volume_molar": 12.525016361260064,
"formula_full": "Rb4 C1 O4",
"formula_reduced": "Rb4CO4",
"formula_anonymous": "AB4C4",
"energy": -47.04631868999999,
"energy_per_atom": -5.227368743333333,
"energy_above_hull": null,
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"energy_uncorrected": -44.29831869,
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"is_magnetic": false,
"total_magnetization": 8.22e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:18.282000Z",
"spacegroup": 23
},
{
"id": "mp-772720",
"created_at": "2022-09-04T14:41:22.623239Z",
"structure_string": "Cr12 Co8 O48\n1.0\n8.949389 0.000000 0.000000\n0.000000 9.034388 0.000000\n0.000000 0.000000 12.582167\nCr Co O\n12 8 48\ndirect\n0.250000 0.969157 0.000000 Cr\n0.750000 0.030843 0.000000 Cr\n0.603725 0.602552 0.144090 Cr\n0.103725 0.397448 0.144090 Cr\n0.103725 0.897448 0.355910 Cr\n0.603725 0.102552 0.355910 Cr\n0.750000 0.530843 0.500000 Cr\n0.250000 0.469157 0.500000 Cr\n0.396275 0.897448 0.644090 Cr\n0.896275 0.102552 0.644090 Cr\n0.896275 0.602552 0.855910 Cr\n0.396275 0.397448 0.855910 Cr\n0.970741 0.749189 0.122846 Co\n0.470741 0.250811 0.122846 Co\n0.470741 0.750811 0.377154 Co\n0.970741 0.249189 0.377154 Co\n0.029259 0.750811 0.622846 Co\n0.529259 0.249189 0.622846 Co\n0.529259 0.749189 0.877154 Co\n0.029259 0.250811 0.877154 Co\n0.559122 0.655233 0.023258 O\n0.059122 0.344767 0.023258 O\n0.363135 0.077847 0.071507 O\n0.863135 0.922153 0.071507 O\n0.155119 0.862922 0.082927 O\n0.655119 0.137078 0.082927 O\n0.088711 0.584441 0.156112 O\n0.588711 0.415559 0.156112 O\n0.777426 0.651549 0.171033 O\n0.277426 0.348451 0.171033 O\n0.483512 0.677226 0.229211 O\n0.983512 0.322774 0.229211 O\n0.983512 0.822774 0.270789 O\n0.483512 0.177226 0.270789 O\n0.777426 0.151549 0.328967 O\n0.277426 0.848451 0.328967 O\n0.588711 0.915559 0.343888 O\n0.088711 0.084441 0.343888 O\n0.655119 0.637078 0.417073 O\n0.155119 0.362922 0.417073 O\n0.363135 0.577847 0.428493 O\n0.863135 0.422153 0.428493 O\n0.559122 0.155233 0.476742 O\n0.059122 0.844767 0.476742 O\n0.440878 0.844767 0.523258 O\n0.940878 0.155233 0.523258 O\n0.136865 0.577847 0.571507 O\n0.636865 0.422153 0.571507 O\n0.844881 0.637078 0.582927 O\n0.344881 0.362922 0.582927 O\n0.911289 0.915559 0.656112 O\n0.411289 0.084441 0.656112 O\n0.222574 0.848451 0.671033 O\n0.722574 0.151549 0.671033 O\n0.516488 0.822774 0.729211 O\n0.016488 0.177226 0.729211 O\n0.016488 0.677226 0.770789 O\n0.516488 0.322774 0.770789 O\n0.722574 0.651549 0.828967 O\n0.222574 0.348451 0.828967 O\n0.411289 0.584441 0.843888 O\n0.911289 0.415559 0.843888 O\n0.344881 0.862922 0.917073 O\n0.844881 0.137078 0.917073 O\n0.636865 0.922153 0.928493 O\n0.136865 0.077847 0.928493 O\n0.940878 0.655233 0.976742 O\n0.440878 0.344767 0.976742 O\n",
"nsites": 68,
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"elements": [
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"Co",
"O"
],
"chemical_system": "Co-Cr-O",
"density": 3.041622270244518,
"density_atomic": 0.06684383268017287,
"volume": 1017.2965444001248,
"volume_molar": 9.009269095645795,
"formula_full": "Cr12 Co8 O48",
"formula_reduced": "Cr3(CoO6)2",
"formula_anonymous": "A2B3C12",
"energy": -506.00343943,
"energy_per_atom": -7.441227050441177,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -435.93543943,
"band_gap": 0.4551999999999999,
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"updated_at": "2021-11-28T01:35:18.359000Z",
"spacegroup": 60
},
{
"id": "mp-1097490",
"created_at": "2022-09-04T14:41:17.048469Z",
"structure_string": "Hf1 Co2 Sb1\n1.0\n-4.627463 5.282140 7.426475\n4.627463 -5.282140 7.426475\n4.627463 5.282140 -7.426475\nHf Co Sb\n1 2 1\ndirect\n0.000000 0.500000 0.500000 Hf\n0.000000 0.269974 0.269974 Co\n0.000000 0.730026 0.730026 Co\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 4,
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"elements": [
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"Co",
"Sb"
],
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"density": 0.956204343482298,
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"volume": 726.0985632550778,
"volume_molar": 109.31669383889606,
"formula_full": "Hf1 Co2 Sb1",
"formula_reduced": "HfCo2Sb",
"formula_anonymous": "ABC2",
"energy": -18.74840035,
"energy_per_atom": -4.6871000875,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:17.559000Z",
"spacegroup": 71
},
{
"id": "mp-1030576",
"created_at": "2022-09-04T14:41:17.051876Z",
"structure_string": "Te4 Mo3 W1 Se2 S2\n1.0\n1.698106 -2.941206 0.000000\n1.698106 2.941206 0.000000\n0.000000 0.000000 38.697344\nTe Mo W Se S\n4 3 1 2 2\ndirect\n0.000000 0.000000 0.330229 Te\n0.000000 0.000000 0.705951 Te\n0.000000 0.000000 0.233401 Te\n0.000000 0.000000 0.609116 Te\n0.000000 0.000000 0.093904 Mo\n0.333333 0.666667 0.281795 Mo\n0.333333 0.666667 0.657528 Mo\n0.000000 0.000000 0.469654 W\n0.333333 0.666667 0.051290 Se\n0.333333 0.666667 0.136541 Se\n0.333333 0.666667 0.430708 S\n0.333333 0.666667 0.508631 S\n",
"nsites": 12,
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"elements": [
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"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.172659213843099,
"density_atomic": 0.031044155666879958,
"volume": 386.54618694630585,
"volume_molar": 19.39862956693274,
"formula_full": "Te4 Mo3 W1 Se2 S2",
"formula_reduced": "Te4Mo3W(SeS)2",
"formula_anonymous": "AB2C2D3E4",
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},
{
"id": "mp-1042798",
"created_at": "2022-09-04T14:41:22.629233Z",
"structure_string": "Mn6 Zn4 O16\n1.0\n2.929878 -5.074698 0.000000\n2.929878 5.074698 0.000000\n0.000000 0.000000 9.384207\nMn Zn O\n6 4 16\ndirect\n0.671871 0.835935 0.245014 Mn\n0.835935 0.164065 0.745014 Mn\n0.164065 0.328129 0.245014 Mn\n0.835935 0.671871 0.745014 Mn\n0.328129 0.164065 0.745014 Mn\n0.164065 0.835935 0.245014 Mn\n0.666667 0.333333 0.033218 Zn\n0.333333 0.666667 0.533218 Zn\n0.666667 0.333333 0.415249 Zn\n0.333333 0.666667 0.915249 Zn\n0.840819 0.159181 0.143706 O\n0.681638 0.840819 0.643706 O\n0.159181 0.318362 0.643706 O\n0.840819 0.681638 0.143706 O\n0.318362 0.159181 0.143706 O\n0.159181 0.840819 0.643706 O\n0.518572 0.481428 0.864131 O\n0.037143 0.518572 0.364131 O\n0.481428 0.962857 0.364131 O\n0.518572 0.037143 0.864131 O\n0.000000 0.000000 0.349717 O\n0.000000 0.000000 0.849717 O\n0.333333 0.666667 0.136762 O\n0.962857 0.481428 0.864131 O\n0.481428 0.518572 0.364131 O\n0.666667 0.333333 0.636762 O\n",
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"elements": [
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],
"chemical_system": "Mn-O-Zn",
"density": 5.041685550492478,
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"volume": 279.0533968856633,
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"formula_full": "Mn6 Zn4 O16",
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},
{
"id": "mp-1042084",
"created_at": "2022-09-04T14:41:22.656090Z",
"structure_string": "Mg2 Te4 O14\n1.0\n6.606756 0.000000 0.000000\n0.000000 6.847381 0.000000\n0.000000 2.946246 7.285570\nMg Te O\n2 4 14\ndirect\n0.114543 0.061176 0.352906 Mg\n0.614543 0.938824 0.647094 Mg\n0.121429 0.924981 0.819873 Te\n0.621429 0.075019 0.180127 Te\n0.699029 0.417285 0.729013 Te\n0.199029 0.582715 0.270987 Te\n0.426362 0.511951 0.406057 O\n0.926362 0.488049 0.593943 O\n0.772557 0.032904 0.392580 O\n0.272557 0.967096 0.607420 O\n0.028106 0.363862 0.292172 O\n0.528106 0.636138 0.707828 O\n0.379990 0.177426 0.225604 O\n0.879990 0.822574 0.774396 O\n0.071885 0.821836 0.267791 O\n0.571885 0.178164 0.732209 O\n0.251251 0.680954 0.000225 O\n0.751251 0.319046 0.999775 O\n0.109791 0.147017 0.889398 O\n0.609791 0.852983 0.110602 O\n",
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"elements": [
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],
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"density": 3.944895020582794,
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"volume": 329.5917227775107,
"volume_molar": 9.924238739485338,
"formula_full": "Mg2 Te4 O14",
"formula_reduced": "MgTe2O7",
"formula_anonymous": "AB2C7",
"energy": -114.95050848999998,
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"updated_at": "2021-11-28T01:35:21.761000Z",
"spacegroup": 4
},
{
"id": "mp-761072",
"created_at": "2022-09-04T14:41:22.661082Z",
"structure_string": "Mn12 O14 F10\n1.0\n4.649712 0.123896 -0.034460\n0.139576 5.673296 -0.056130\n-0.105514 -0.155278 15.288550\nMn O F\n12 14 10\ndirect\n0.007344 0.167868 0.420639 Mn\n0.030911 0.852594 0.245185 Mn\n0.009668 0.157816 0.088250 Mn\n0.019912 0.167588 0.745542 Mn\n0.025880 0.844523 0.580516 Mn\n0.008260 0.863221 0.912189 Mn\n0.472375 0.347196 0.589284 Mn\n0.471189 0.321790 0.921765 Mn\n0.519811 0.345728 0.250950 Mn\n0.491378 0.632109 0.086095 Mn\n0.472762 0.635999 0.414249 Mn\n0.479539 0.638146 0.751577 Mn\n0.219807 0.117060 0.638258 O\n0.203477 0.107328 0.975083 O\n0.240229 0.881469 0.137701 O\n0.221851 0.885750 0.472188 O\n0.230354 0.893447 0.804848 O\n0.285513 0.383451 0.143294 O\n0.277116 0.611557 0.302410 O\n0.265782 0.387332 0.479226 O\n0.270513 0.612696 0.641909 O\n0.270815 0.386720 0.810757 O\n0.718084 0.376356 0.027120 O\n0.728977 0.392316 0.362385 O\n0.719811 0.386842 0.693428 O\n0.798703 0.117026 0.194079 O\n0.259574 0.108867 0.310110 F\n0.249285 0.608073 0.974692 F\n0.755401 0.620027 0.191788 F\n0.727324 0.619566 0.525336 F\n0.730741 0.634638 0.861495 F\n0.740719 0.112301 0.531726 F\n0.784625 0.895062 0.356091 F\n0.754155 0.871938 0.020393 F\n0.765701 0.137841 0.849838 F\n0.772416 0.877759 0.689605 F\n",
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"density": 4.422461770447853,
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"volume": 402.97554657154154,
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"formula_full": "Mn12 O14 F10",
"formula_reduced": "Mn6O7F5",
"formula_anonymous": "A5B6C7",
"energy": -277.59548964,
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"updated_at": "2021-11-28T01:35:26.575000Z",
"spacegroup": 1
}
]
}