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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy&page=10231",
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"results": [
{
"id": "mp-759052",
"created_at": "2022-09-04T14:45:38.921062Z",
"structure_string": "Li8 Mn12 F32\n1.0\n11.830554 0.000000 0.000000\n0.000000 6.705961 0.000000\n0.000000 1.068431 8.863869\nLi Mn F\n8 12 32\ndirect\n0.613578 0.106573 0.069772 Li\n0.886422 0.606573 0.069772 Li\n0.422803 0.305073 0.403856 Li\n0.077197 0.805073 0.403856 Li\n0.922803 0.194927 0.596144 Li\n0.577197 0.694927 0.596144 Li\n0.113578 0.393427 0.930228 Li\n0.386422 0.893427 0.930228 Li\n0.391834 0.356719 0.062679 Mn\n0.108166 0.856719 0.062679 Mn\n0.090603 0.319921 0.265866 Mn\n0.409397 0.819921 0.265866 Mn\n0.696863 0.354819 0.342779 Mn\n0.803137 0.854819 0.342779 Mn\n0.196863 0.145181 0.657221 Mn\n0.303137 0.645181 0.657221 Mn\n0.590603 0.180079 0.734134 Mn\n0.909397 0.680079 0.734134 Mn\n0.891834 0.143281 0.937321 Mn\n0.608166 0.643281 0.937321 Mn\n0.582794 0.386881 0.100455 F\n0.215833 0.363702 0.095795 F\n0.956134 0.340477 0.093651 F\n0.917206 0.886881 0.100455 F\n0.284167 0.863702 0.095795 F\n0.543866 0.840477 0.093651 F\n0.718044 0.089701 0.223928 F\n0.095183 0.021048 0.253277 F\n0.781956 0.589701 0.223928 F\n0.415391 0.125301 0.256460 F\n0.404817 0.521048 0.253277 F\n0.084609 0.625301 0.256460 F\n0.806585 0.153918 0.469780 F\n0.566540 0.256726 0.495550 F\n0.693415 0.653918 0.469780 F\n0.933460 0.756726 0.495550 F\n0.066540 0.243274 0.504450 F\n0.306585 0.346082 0.530220 F\n0.433460 0.743274 0.504450 F\n0.193415 0.846082 0.530220 F\n0.915391 0.374699 0.743540 F\n0.595183 0.478952 0.746723 F\n0.584609 0.874699 0.743540 F\n0.218044 0.410299 0.776072 F\n0.904817 0.978952 0.746723 F\n0.281956 0.910299 0.776072 F\n0.456134 0.159523 0.906349 F\n0.715833 0.136298 0.904205 F\n0.082794 0.113119 0.899545 F\n0.043866 0.659523 0.906349 F\n0.784167 0.636298 0.904205 F\n0.417206 0.613119 0.899545 F\n",
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"elements": [
"Li",
"Mn",
"F"
],
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"density": 3.123431578679075,
"density_atomic": 0.07394586764640206,
"volume": 703.2171188883215,
"volume_molar": 8.143985528436781,
"formula_full": "Li8 Mn12 F32",
"formula_reduced": "Li2Mn3F8",
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"energy": -340.30813481,
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"updated_at": "2021-11-28T01:37:02.302000Z",
"spacegroup": 14
},
{
"id": "mp-1205007",
"created_at": "2022-09-04T14:41:54.747610Z",
"structure_string": "K6 Sb12 Te12 H12 O24\n1.0\n0.000000 0.000000 5.831098\n13.893757 -8.021564 -1.943699\n0.000000 16.043128 -1.943699\nK Sb Te H O\n6 12 12 12 24\ndirect\n0.583394 0.820093 0.749148 K\n0.834246 0.250852 0.070945 K\n0.763301 0.929055 0.179907 K\n0.416606 0.179907 0.250852 K\n0.165754 0.749148 0.929055 K\n0.236699 0.070945 0.820093 K\n0.613716 0.975733 0.629761 Sb\n0.983955 0.370239 0.345972 Sb\n0.637983 0.654028 0.024267 Sb\n0.386284 0.024267 0.370239 Sb\n0.016045 0.629761 0.654028 Sb\n0.362017 0.345972 0.975733 Sb\n0.041680 0.819332 0.585236 Sb\n0.456443 0.414764 0.234096 Sb\n0.222347 0.765904 0.180668 Sb\n0.958320 0.180668 0.414764 Sb\n0.543557 0.585236 0.765904 Sb\n0.777653 0.234096 0.819332 Sb\n0.961707 0.902785 0.424677 Te\n0.537030 0.575323 0.478107 Te\n0.058923 0.521893 0.097215 Te\n0.038293 0.097215 0.575323 Te\n0.462970 0.424677 0.521893 Te\n0.941077 0.478107 0.902785 Te\n0.505021 0.754564 0.396923 Te\n0.108098 0.603077 0.357641 Te\n0.750458 0.642359 0.245436 Te\n0.494979 0.245436 0.603077 Te\n0.891902 0.396923 0.642359 Te\n0.249542 0.357641 0.754564 Te\n0.102719 0.847349 0.800226 H\n0.302493 0.199774 0.047123 H\n0.255370 0.952877 0.152651 H\n0.897281 0.152651 0.199774 H\n0.697507 0.800226 0.952877 H\n0.744630 0.047123 0.847349 H\n0.085607 0.949115 0.885479 H\n0.200128 0.114521 0.063636 H\n0.136493 0.936364 0.050885 H\n0.914393 0.050885 0.114521 H\n0.799872 0.885479 0.936364 H\n0.863507 0.063636 0.949115 H\n0.852215 0.912606 0.667622 O\n0.184593 0.332378 0.244984 O\n0.939609 0.755016 0.087394 O\n0.147785 0.087394 0.332378 O\n0.815407 0.667622 0.755016 O\n0.060391 0.244984 0.912606 O\n0.073310 0.767699 0.681162 O\n0.392148 0.318838 0.086537 O\n0.305610 0.913463 0.232301 O\n0.926690 0.232301 0.318838 O\n0.607852 0.681162 0.913463 O\n0.694390 0.086537 0.767699 O\n0.350562 0.912187 0.665566 O\n0.684996 0.334434 0.246621 O\n0.438375 0.753379 0.087813 O\n0.649438 0.087813 0.334434 O\n0.315004 0.665566 0.753379 O\n0.561625 0.246621 0.912187 O\n0.127065 0.887712 0.872075 O\n0.254989 0.127925 0.015636 O\n0.239353 0.984364 0.112288 O\n0.872935 0.112288 0.127925 O\n0.745011 0.872075 0.984364 O\n0.760647 0.015636 0.887712 O\n",
"nsites": 66,
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"elements": [
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"Sb",
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"H",
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],
"chemical_system": "H-K-O-Sb-Te",
"density": 4.628680738171487,
"density_atomic": 0.05077908228480866,
"volume": 1299.747790435057,
"volume_molar": 11.859491131058933,
"formula_full": "K6 Sb12 Te12 H12 O24",
"formula_reduced": "KSb2Te2(HO2)2",
"formula_anonymous": "AB2C2D2E4",
"energy": -340.31830547,
"energy_per_atom": -5.156337961666666,
"energy_above_hull": null,
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"band_gap": 0.5748999999999995,
"is_gap_direct": true,
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"updated_at": "2021-11-28T01:35:28.869000Z",
"spacegroup": 148
},
{
"id": "mp-5024",
"created_at": "2022-09-04T14:41:48.191969Z",
"structure_string": "Zr4 P8 O28\n1.0\n8.550585 0.000000 0.000000\n0.000000 8.550585 0.000000\n0.000000 0.000000 8.550585\nZr P O\n4 8 28\ndirect\n0.000000 0.500000 0.500000 Zr\n0.500000 0.500000 0.000000 Zr\n0.500000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.393011 0.106989 0.893011 P\n0.106989 0.893011 0.393011 P\n0.893011 0.393011 0.106989 P\n0.606989 0.606989 0.606989 P\n0.606989 0.893011 0.106989 P\n0.893011 0.106989 0.606989 P\n0.106989 0.606989 0.893011 P\n0.393011 0.393011 0.393011 P\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.942740 0.224656 0.077595 O\n0.442740 0.275344 0.922405 O\n0.057260 0.724656 0.422405 O\n0.275344 0.922405 0.442740 O\n0.422405 0.057260 0.724656 O\n0.922405 0.442740 0.275344 O\n0.224656 0.077595 0.942740 O\n0.077595 0.942740 0.224656 O\n0.442740 0.224656 0.422405 O\n0.422405 0.442740 0.224656 O\n0.224656 0.422405 0.442740 O\n0.275344 0.577595 0.942740 O\n0.922405 0.057260 0.775344 O\n0.775344 0.922405 0.057260 O\n0.077595 0.557260 0.724656 O\n0.577595 0.942740 0.275344 O\n0.724656 0.077595 0.557260 O\n0.942740 0.275344 0.577595 O\n0.557260 0.724656 0.077595 O\n0.057260 0.775344 0.922405 O\n0.557260 0.775344 0.577595 O\n0.577595 0.557260 0.775344 O\n0.775344 0.577595 0.557260 O\n0.724656 0.422405 0.057260 O\n",
"nsites": 40,
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"elements": [
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],
"chemical_system": "O-P-Zr",
"density": 2.8173552288053174,
"density_atomic": 0.06398416482360735,
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"formula_full": "Zr4 P8 O28",
"formula_reduced": "ZrP2O7",
"formula_anonymous": "AB2C7",
"energy": -340.32188989,
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"updated_at": "2021-11-28T01:35:27.024000Z",
"spacegroup": 205
},
{
"id": "mp-705336",
"created_at": "2022-09-04T14:45:08.149179Z",
"structure_string": "Li4 Co6 P8 O28\n1.0\n5.303040 0.000000 0.000000\n1.940407 6.110000 0.000000\n2.308975 1.864856 15.842138\nLi Co P O\n4 6 8 28\ndirect\n0.928078 0.771586 0.007217 Li\n0.352795 0.689889 0.119131 Li\n0.071922 0.228414 0.992783 Li\n0.647205 0.310111 0.880869 Li\n0.802329 0.720792 0.409063 Co\n0.043457 0.628359 0.810781 Co\n0.956543 0.371641 0.189219 Co\n0.234550 0.966683 0.335896 Co\n0.765450 0.033317 0.664104 Co\n0.197671 0.279208 0.590937 Co\n0.175991 0.098065 0.789622 P\n0.363768 0.430718 0.319643 P\n0.636232 0.569282 0.680357 P\n0.294112 0.781125 0.541316 P\n0.438839 0.752843 0.925622 P\n0.824009 0.901935 0.210378 P\n0.561161 0.247157 0.074378 P\n0.705888 0.218875 0.458684 P\n0.257541 0.327533 0.073848 O\n0.115199 0.986139 0.581835 O\n0.282267 0.853714 0.005145 O\n0.606668 0.452721 0.263178 O\n0.440738 0.300869 0.410392 O\n0.345543 0.142787 0.707395 O\n0.975350 0.699903 0.163617 O\n0.742459 0.672467 0.926152 O\n0.838642 0.400024 0.451611 O\n0.654457 0.857213 0.292605 O\n0.399132 0.954858 0.850182 O\n0.175756 0.657969 0.338943 O\n0.322895 0.577124 0.904168 O\n0.824244 0.342031 0.661057 O\n0.586506 0.156533 0.548899 O\n0.161358 0.599976 0.548389 O\n0.024650 0.300097 0.836383 O\n0.884801 0.013861 0.418165 O\n0.015845 0.034953 0.217865 O\n0.600868 0.045142 0.149818 O\n0.393332 0.547279 0.736822 O\n0.209891 0.292357 0.288848 O\n0.984155 0.965047 0.782135 O\n0.559262 0.699131 0.589608 O\n0.413494 0.843467 0.451101 O\n0.790109 0.707643 0.711152 O\n0.717733 0.146286 0.994855 O\n0.677105 0.422876 0.095832 O\n",
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"formula_full": "Li4 Co6 P8 O28",
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},
{
"id": "mp-1232090",
"created_at": "2022-09-04T14:40:57.194132Z",
"structure_string": "Sm16 Mg8 S32\n1.0\n7.727781 0.000000 0.000000\n0.000000 12.919936 0.000000\n0.000000 0.000000 12.949514\nSm Mg S\n16 8 32\ndirect\n0.884815 0.109440 0.684668 Sm\n0.115185 0.890560 0.184668 Sm\n0.884815 0.390560 0.184668 Sm\n0.115185 0.609440 0.684668 Sm\n0.383208 0.127075 0.326114 Sm\n0.616792 0.872925 0.826114 Sm\n0.383208 0.372925 0.826114 Sm\n0.616792 0.627075 0.326114 Sm\n0.630133 0.134243 0.993591 Sm\n0.369867 0.865757 0.493591 Sm\n0.630133 0.365757 0.493591 Sm\n0.369867 0.634243 0.993591 Sm\n0.130018 0.134919 0.992661 Sm\n0.869982 0.865081 0.492661 Sm\n0.130018 0.365081 0.492661 Sm\n0.869982 0.634919 0.992661 Sm\n0.384369 0.111080 0.692452 Mg\n0.615631 0.888920 0.192452 Mg\n0.384369 0.388920 0.192452 Mg\n0.615631 0.611080 0.692452 Mg\n0.879653 0.125802 0.320573 Mg\n0.120347 0.874198 0.820573 Mg\n0.879653 0.374198 0.820573 Mg\n0.120347 0.625802 0.320573 Mg\n0.879984 0.011925 0.878739 S\n0.120016 0.988075 0.378739 S\n0.879984 0.488075 0.378739 S\n0.120016 0.511925 0.878739 S\n0.380198 0.030059 0.129433 S\n0.619802 0.969941 0.629433 S\n0.380198 0.469941 0.629433 S\n0.619802 0.530059 0.129433 S\n0.372381 0.023755 0.868199 S\n0.627619 0.976245 0.368199 S\n0.372381 0.476245 0.368199 S\n0.627619 0.523755 0.868199 S\n0.873611 0.044779 0.138714 S\n0.126389 0.955221 0.638714 S\n0.873611 0.455221 0.638714 S\n0.126389 0.544779 0.138714 S\n0.880445 0.210828 0.497913 S\n0.119555 0.789172 0.997913 S\n0.880445 0.289172 0.997913 S\n0.119555 0.710828 0.497913 S\n0.380939 0.211351 0.522333 S\n0.619061 0.788649 0.022333 S\n0.380939 0.288649 0.022333 S\n0.619061 0.711351 0.522333 S\n0.130661 0.232932 0.774775 S\n0.869339 0.767068 0.274775 S\n0.130661 0.267068 0.274775 S\n0.869339 0.732932 0.774775 S\n0.633136 0.231466 0.776834 S\n0.366864 0.768534 0.276834 S\n0.633136 0.268534 0.276834 S\n0.366864 0.731466 0.776834 S\n",
"nsites": 56,
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"elements": [
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"density": 4.657381292177351,
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"volume": 1292.9110220252394,
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"formula_full": "Sm16 Mg8 S32",
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"updated_at": "2021-11-28T01:34:59.722000Z",
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},
{
"id": "mp-770734",
"created_at": "2022-09-04T14:42:08.935253Z",
"structure_string": "Mg12 As8 O32\n1.0\n11.568522 0.000000 0.000000\n0.000000 6.385981 0.000000\n0.000000 1.552433 9.032903\nMg As O\n12 8 32\ndirect\n0.388385 0.385351 0.081094 Mg\n0.111615 0.885351 0.081094 Mg\n0.083793 0.338781 0.264053 Mg\n0.701799 0.367791 0.362300 Mg\n0.416207 0.838781 0.264053 Mg\n0.798201 0.867791 0.362300 Mg\n0.201799 0.132209 0.637700 Mg\n0.583793 0.161219 0.735947 Mg\n0.298201 0.632209 0.637700 Mg\n0.916207 0.661219 0.735947 Mg\n0.888385 0.114649 0.918906 Mg\n0.611615 0.614649 0.918906 Mg\n0.634947 0.107918 0.088221 As\n0.865053 0.607918 0.088221 As\n0.419722 0.312643 0.397426 As\n0.080278 0.812643 0.397426 As\n0.919722 0.187357 0.602574 As\n0.580278 0.687357 0.602574 As\n0.134947 0.392082 0.911779 As\n0.365053 0.892082 0.911779 As\n0.211026 0.395423 0.073568 O\n0.565115 0.349602 0.072294 O\n0.288974 0.895423 0.073568 O\n0.945813 0.382415 0.128818 O\n0.934885 0.849602 0.072294 O\n0.726193 0.119323 0.235449 O\n0.554187 0.882415 0.128818 O\n0.086272 0.034618 0.262817 O\n0.773807 0.619323 0.235449 O\n0.384078 0.132841 0.284918 O\n0.413728 0.534618 0.262817 O\n0.115922 0.632841 0.284918 O\n0.554284 0.265216 0.478460 O\n0.816108 0.165644 0.473445 O\n0.945716 0.765216 0.478460 O\n0.683892 0.665644 0.473445 O\n0.316108 0.334356 0.526555 O\n0.054284 0.234784 0.521540 O\n0.183892 0.834356 0.526555 O\n0.445716 0.734784 0.521540 O\n0.884078 0.367159 0.715082 O\n0.586272 0.465382 0.737183 O\n0.615922 0.867159 0.715082 O\n0.226193 0.380677 0.764551 O\n0.913728 0.965382 0.737183 O\n0.445813 0.117585 0.871182 O\n0.273807 0.880677 0.764551 O\n0.065115 0.150398 0.927706 O\n0.054187 0.617585 0.871182 O\n0.711026 0.104577 0.926432 O\n0.434885 0.650398 0.927706 O\n0.788974 0.604577 0.926432 O\n",
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"elements": [
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"energy": -340.36217288,
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}
]
}