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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=spacegroup&page=98",
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"results": [
{
"id": "mp-673839",
"created_at": "2022-09-04T14:39:59.455789Z",
"structure_string": "Mg12 V8 O24\n1.0\n5.942931 0.000000 0.000000\n-2.942814 5.320459 0.000000\n-0.155233 -0.361469 15.148407\nMg V O\n12 8 24\ndirect\n0.685885 0.866737 0.859766 Mg\n0.544736 0.579094 0.008715 Mg\n0.009117 0.507747 0.624246 Mg\n0.674452 0.341926 0.828377 Mg\n0.357623 0.211973 0.194879 Mg\n0.199916 0.903804 0.335686 Mg\n0.995050 0.995412 0.503253 Mg\n0.652591 0.816519 0.688143 Mg\n0.332506 0.673382 0.170552 Mg\n0.960570 0.426004 0.369147 Mg\n0.838477 0.671954 0.170867 Mg\n0.274870 0.070016 0.019200 Mg\n0.172394 0.345549 0.828359 V\n0.490855 0.990852 0.501692 V\n0.343323 0.170892 0.665024 V\n0.170502 0.833730 0.830519 V\n0.657611 0.817960 0.331880 V\n0.490880 0.488041 0.494769 V\n0.994065 0.482482 0.000896 V\n0.829450 0.160630 0.167026 V\n0.332286 0.669093 0.916157 O\n0.840830 0.663344 0.919421 O\n0.011952 0.514293 0.759067 O\n0.870241 0.213462 0.907676 O\n0.641583 0.321190 0.583912 O\n0.491426 0.490518 0.753997 O\n0.337896 0.179158 0.899677 O\n0.193438 0.331464 0.580289 O\n0.501584 0.996553 0.758372 O\n0.328589 0.155333 0.432230 O\n0.187435 0.865205 0.586319 O\n0.002785 0.996543 0.756336 O\n0.791413 0.105867 0.421617 O\n0.001374 0.006716 0.247241 O\n0.654253 0.814416 0.563411 O\n0.829391 0.672257 0.410001 O\n0.499792 0.999287 0.250503 O\n0.668266 0.843467 0.098977 O\n0.329288 0.676405 0.410744 O\n0.522718 0.543037 0.245178 O\n0.132842 0.773567 0.086386 O\n0.997690 0.493382 0.240078 O\n0.177870 0.330602 0.079247 O\n0.646852 0.323469 0.083497 O\n",
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"elements": [
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],
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"density_atomic": 0.09186200553183836,
"volume": 478.9793097294189,
"volume_molar": 6.555638237086813,
"formula_full": "Mg12 V8 O24",
"formula_reduced": "Mg3V2O6",
"formula_anonymous": "A2B3C6",
"energy": -330.32639696,
"energy_per_atom": -7.507418112727273,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:43.931000Z",
"spacegroup": 1
},
{
"id": "mp-1360281",
"created_at": "2022-09-04T14:39:59.552427Z",
"structure_string": "Mg18 Si10\n1.0\n-7.964695 0.000000 0.000000\n3.888399 7.079754 0.000000\n-0.348493 -4.395605 -9.627426\nMg Si\n18 10\ndirect\n0.353772 0.362146 0.385597 Mg\n0.758656 0.623254 0.554871 Mg\n0.057935 0.695594 0.379439 Mg\n0.023722 0.268932 0.550351 Mg\n0.656602 0.988541 0.373933 Mg\n0.510050 0.988182 0.592403 Mg\n0.182039 0.205414 0.873185 Mg\n0.290577 0.503581 0.040565 Mg\n0.881266 0.501599 0.881232 Mg\n0.937035 0.795043 0.031422 Mg\n0.245910 0.862760 0.884579 Mg\n0.564132 0.130740 0.039986 Mg\n0.460060 0.260734 0.708827 Mg\n0.671761 0.756033 0.207186 Mg\n0.166317 0.599734 0.699946 Mg\n0.969409 0.387169 0.207782 Mg\n0.553823 0.605348 0.821320 Mg\n0.290130 0.096982 0.205130 Mg\n0.900143 0.888150 0.728677 Si\n0.135295 0.956851 0.586323 Si\n0.000450 0.029163 0.335994 Si\n0.918728 0.148119 0.018214 Si\n0.826769 0.254831 0.741890 Si\n0.311403 0.747862 0.213363 Si\n0.617788 0.933366 0.887393 Si\n0.628204 0.438265 0.131228 Si\n0.700341 0.352705 0.395538 Si\n0.387683 0.618932 0.523846 Si\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.1972762646375803,
"density_atomic": 0.05157752818592249,
"volume": 542.8720798536112,
"volume_molar": 11.675900284115741,
"formula_full": "Mg18 Si10",
"formula_reduced": "Mg9Si5",
"formula_anonymous": "A5B9",
"energy": -39.40246398,
"energy_per_atom": -1.4072308564285714,
"energy_above_hull": null,
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"energy_uncorrected": -40.11246398,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.51e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.355000Z",
"spacegroup": 1
},
{
"id": "mp-1073734",
"created_at": "2022-09-04T14:39:59.837026Z",
"structure_string": "Mg6 Si6\n1.0\n4.793235 0.000000 0.000000\n1.228061 5.086913 0.000000\n2.101157 2.116888 9.761295\nMg Si\n6 6\ndirect\n0.549061 0.111787 0.892843 Mg\n0.724915 0.778377 0.248073 Mg\n0.017318 0.109429 0.399998 Mg\n0.563012 0.578299 0.577872 Mg\n0.061248 0.293936 0.093075 Mg\n0.127203 0.202660 0.684998 Mg\n0.940945 0.653237 0.818306 Si\n0.197545 0.575083 0.407025 Si\n0.523683 0.533516 0.998809 Si\n0.082693 0.851293 0.986578 Si\n0.691409 0.994663 0.647171 Si\n0.521017 0.317770 0.245134 Si\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.193120130137534,
"density_atomic": 0.05041859929507031,
"volume": 238.00740535791329,
"volume_molar": 11.944284141564435,
"formula_full": "Mg6 Si6",
"formula_reduced": "MgSi",
"formula_anonymous": "AB",
"energy": -41.0332655,
"energy_per_atom": -3.4194387916666664,
"energy_above_hull": null,
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"energy_uncorrected": -41.4592655,
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"updated_at": "2021-11-28T01:34:44.285000Z",
"spacegroup": 1
},
{
"id": "mp-780466",
"created_at": "2022-09-04T14:39:59.677771Z",
"structure_string": "Cr8 O2 F22\n1.0\n-5.083727 0.008072 0.016433\n-2.534349 -4.691075 0.003431\n2.488974 -0.749693 16.693645\nCr O F\n8 2 22\ndirect\n0.745627 0.643850 0.128412 Cr\n0.749114 0.121848 0.626059 Cr\n0.491586 0.738972 0.752918 Cr\n0.509010 0.232811 0.246392 Cr\n0.250807 0.870060 0.374347 Cr\n0.255441 0.386420 0.871060 Cr\n0.000346 0.497700 0.500048 Cr\n0.998899 0.008333 0.000347 Cr\n0.747464 0.938133 0.187414 O\n0.314151 0.531887 0.781931 O\n0.814402 0.784977 0.032837 F\n0.751984 0.811353 0.562600 F\n0.757838 0.319393 0.064362 F\n0.680138 0.962472 0.718308 F\n0.686154 0.657160 0.407125 F\n0.683857 0.468242 0.217770 F\n0.816235 0.593237 0.843486 F\n0.813391 0.090776 0.341751 F\n0.814175 0.279757 0.532551 F\n0.313159 0.843272 0.093193 F\n0.745549 0.437721 0.688349 F\n0.261758 0.555668 0.310887 F\n0.684803 0.157898 0.907035 F\n0.185512 0.907320 0.658619 F\n0.183488 0.408229 0.157393 F\n0.185621 0.717952 0.468262 F\n0.314487 0.342440 0.592959 F\n0.311274 0.031571 0.280993 F\n0.248346 0.689626 0.938005 F\n0.246988 0.185404 0.436926 F\n0.253811 0.063953 0.812938 F\n0.184585 0.221564 0.964722 F\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Cr",
"O",
"F"
],
"chemical_system": "Cr-F-O",
"density": 3.606833085638135,
"density_atomic": 0.08026808478314061,
"volume": 398.66405292282786,
"volume_molar": 7.502534508291746,
"formula_full": "Cr8 O2 F22",
"formula_reduced": "Cr4OF11",
"formula_anonymous": "AB4C11",
"energy": -221.39348578,
"energy_per_atom": -6.918546430625,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -193.86348578,
"band_gap": 0.9155,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.909000Z",
"spacegroup": 1
},
{
"id": "mp-1041737",
"created_at": "2022-09-04T14:39:59.735747Z",
"structure_string": "Zn2 Bi1 W1 O6\n1.0\n5.491815 0.000000 0.000000\n-2.173876 -5.088265 0.000000\n-1.478334 0.497214 -5.451482\nZn Bi W O\n2 1 1 6\ndirect\n0.621869 0.374236 0.878662 Zn\n0.686505 0.851936 0.461955 Zn\n0.024394 0.488459 0.490038 Bi\n0.021685 0.015032 0.993466 W\n0.956871 0.663333 0.118918 O\n0.788734 0.165222 0.748327 O\n0.369552 0.269304 0.097533 O\n0.816411 0.071386 0.218327 O\n0.048034 0.857761 0.689364 O\n0.456860 0.560539 0.607341 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Zn",
"Bi",
"W",
"O"
],
"chemical_system": "Bi-O-W-Zn",
"density": 6.754367633803892,
"density_atomic": 0.06564471951803198,
"volume": 152.3351775043093,
"volume_molar": 9.173838816305363,
"formula_full": "Zn2 Bi1 W1 O6",
"formula_reduced": "Zn2BiWO6",
"formula_anonymous": "ABC2D6",
"energy": -66.29144467,
"energy_per_atom": -6.629144467000001,
"energy_above_hull": null,
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"energy_uncorrected": -57.73144467,
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"updated_at": "2021-11-28T01:34:44.819000Z",
"spacegroup": 1
},
{
"id": "mp-1340075",
"created_at": "2022-09-04T14:39:59.820329Z",
"structure_string": "Ca1 Ni2 P4 O14\n1.0\n-6.445585 0.000000 0.000000\n0.794673 6.554232 0.000000\n-0.284816 -2.765209 -6.191961\nCa Ni P O\n1 2 4 14\ndirect\n0.868970 0.727583 0.177679 Ca\n0.353443 0.103161 0.212961 Ni\n0.649589 0.903849 0.786437 Ni\n0.863573 0.227307 0.243071 P\n0.139637 0.779368 0.756319 P\n0.376736 0.643426 0.340734 P\n0.619679 0.357594 0.657603 P\n0.220492 0.621023 0.523934 O\n0.790698 0.376207 0.484926 O\n0.035576 0.094875 0.261946 O\n0.962130 0.892393 0.720758 O\n0.411840 0.250985 0.535960 O\n0.590453 0.758611 0.449990 O\n0.616715 0.597492 0.824696 O\n0.396521 0.404788 0.182808 O\n0.063037 0.624895 0.867162 O\n0.927689 0.388395 0.142275 O\n0.332477 0.939494 0.876388 O\n0.673032 0.050737 0.131018 O\n0.682080 0.201524 0.753139 O\n0.282824 0.785190 0.244374 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
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"Ni",
"P",
"O"
],
"chemical_system": "Ca-Ni-O-P",
"density": 3.207969640958448,
"density_atomic": 0.08027992026353646,
"volume": 261.58471422321907,
"volume_molar": 7.5014284272219,
"formula_full": "Ca1 Ni2 P4 O14",
"formula_reduced": "CaNi2(P2O7)2",
"formula_anonymous": "AB2C4D14",
"energy": -154.37305096999998,
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"updated_at": "2021-11-28T01:34:43.700000Z",
"spacegroup": 1
},
{
"id": "mp-780292",
"created_at": "2022-09-04T14:39:59.831890Z",
"structure_string": "Li8 Mn5 Fe3 B8 O24\n1.0\n5.240492 0.000000 0.000000\n-2.606588 4.557607 0.000000\n-0.232034 -0.515624 20.929428\nLi Mn Fe B O\n8 5 3 8 24\ndirect\n0.349687 0.325109 0.666454 Li\n0.321314 0.346971 0.915694 Li\n0.349099 0.320926 0.165964 Li\n0.322057 0.349180 0.416468 Li\n0.666314 0.655737 0.790424 Li\n0.651137 0.663491 0.541898 Li\n0.662232 0.651482 0.291321 Li\n0.651890 0.662110 0.040887 Li\n0.996605 0.329635 0.058002 Mn\n0.999541 0.679423 0.932336 Mn\n0.998000 0.674017 0.434659 Mn\n0.677369 0.996526 0.183433 Mn\n0.328658 0.996052 0.308697 Mn\n0.995359 0.321619 0.559826 Fe\n0.676206 0.010185 0.683116 Fe\n0.325925 0.997660 0.807737 Fe\n0.658556 0.003630 0.936119 B\n0.659720 0.002637 0.438208 B\n0.995498 0.330416 0.810937 B\n0.995843 0.334167 0.312393 B\n0.001836 0.662303 0.686945 B\n0.001831 0.657904 0.187275 B\n0.329198 0.991380 0.562561 B\n0.334509 0.995113 0.061990 B\n0.747584 0.069817 0.791910 O\n0.753467 0.070567 0.291147 O\n0.929529 0.254187 0.951483 O\n0.421856 0.033397 0.915473 O\n0.929604 0.252255 0.453750 O\n0.421904 0.032203 0.417222 O\n0.976092 0.582650 0.825383 O\n0.345585 0.264683 0.568921 O\n0.961979 0.577460 0.327829 O\n0.358763 0.269056 0.069226 O\n0.268211 0.347326 0.817288 O\n0.268952 0.358354 0.319848 O\n0.732325 0.643736 0.693103 O\n0.726776 0.628148 0.194643 O\n0.629495 0.727758 0.943556 O\n0.024538 0.415755 0.667812 O\n0.630481 0.726889 0.445346 O\n0.033258 0.420566 0.166408 O\n0.580164 0.971583 0.577088 O\n0.577821 0.962089 0.077341 O\n0.068624 0.743224 0.543503 O\n0.070761 0.753354 0.040763 O\n0.260135 0.927250 0.701538 O\n0.252515 0.928825 0.202276 O\n",
"nsites": 48,
"nelements": 5,
"elements": [
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"Mn",
"Fe",
"B",
"O"
],
"chemical_system": "B-Fe-Li-Mn-O",
"density": 3.2163249012314292,
"density_atomic": 0.09602292747946868,
"volume": 499.88061455700995,
"volume_molar": 6.271565466786706,
"formula_full": "Li8 Mn5 Fe3 B8 O24",
"formula_reduced": "Li8Mn5Fe3(BO3)8",
"formula_anonymous": "A3B5C8D8E24",
"energy": -376.04200004,
"energy_per_atom": -7.834208334166667,
"energy_above_hull": null,
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"energy_uncorrected": -344.44600004,
"band_gap": 3.0066,
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"updated_at": "2021-11-28T01:34:43.665000Z",
"spacegroup": 1
},
{
"id": "mp-1235197",
"created_at": "2022-09-04T14:39:59.835238Z",
"structure_string": "Li1 Fe8 O14 F2\n1.0\n4.705037 -0.017478 -0.003152\n-0.017425 4.734393 0.000949\n-0.008592 0.002193 11.894644\nLi Fe O F\n1 8 14 2\ndirect\n0.502325 0.995743 0.249411 Li\n0.000289 0.990914 0.007804 Fe\n0.001966 0.996865 0.252742 Fe\n0.027118 0.021387 0.502082 Fe\n0.000657 0.990241 0.747650 Fe\n0.500131 0.495396 0.124206 Fe\n0.495090 0.491382 0.633725 Fe\n0.470472 0.518948 0.877850 Fe\n0.500098 0.494366 0.374524 Fe\n0.215743 0.826875 0.136068 O\n0.209412 0.811495 0.623960 O\n0.176676 0.819465 0.878184 O\n0.223061 0.832513 0.371324 O\n0.292435 0.318146 0.002734 O\n0.292474 0.322991 0.247770 O\n0.316717 0.326267 0.502021 O\n0.291195 0.310786 0.758370 O\n0.689524 0.683446 0.002521 O\n0.711870 0.668466 0.250133 O\n0.687506 0.687039 0.755969 O\n0.785490 0.163596 0.134209 O\n0.794062 0.169741 0.371114 O\n0.807300 0.186647 0.626219 O\n0.722420 0.686663 0.500701 F\n0.785967 0.190629 0.879820 F\n",
"nsites": 25,
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"elements": [
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"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 4.485398699361737,
"density_atomic": 0.09435553362974848,
"volume": 264.95531357069217,
"volume_molar": 6.382392773730586,
"formula_full": "Li1 Fe8 O14 F2",
"formula_reduced": "LiFe8(O7F)2",
"formula_anonymous": "AB2C8D14",
"energy": -180.88497434,
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"updated_at": "2021-11-28T01:34:43.650000Z",
"spacegroup": 1
},
{
"id": "mp-1375060",
"created_at": "2022-09-04T14:39:59.840223Z",
"structure_string": "Ca1 La2 Mn2 Fe2 O12\n1.0\n5.452229 0.000000 0.000000\n0.026054 5.480216 0.000000\n0.007942 0.024969 7.716009\nCa La Mn Fe O\n1 2 2 2 12\ndirect\n0.025724 0.000312 0.250036 Ca\n0.983460 0.993905 0.749103 La\n0.522705 0.494895 0.250682 La\n0.499068 0.999008 0.503621 Mn\n0.004818 0.496181 0.996093 Mn\n0.499147 0.001204 0.994645 Fe\n0.007647 0.496229 0.504998 Fe\n0.987397 0.560118 0.247860 O\n0.781929 0.224651 0.034479 O\n0.776537 0.218733 0.465892 O\n0.739801 0.732126 0.974843 O\n0.731477 0.735831 0.525979 O\n0.499610 0.054499 0.746676 O\n0.501504 0.941433 0.251869 O\n0.268133 0.260558 0.457121 O\n0.265044 0.268243 0.044245 O\n0.218241 0.786085 0.514687 O\n0.212154 0.783113 0.984325 O\n0.009956 0.442475 0.752663 O\n",
"nsites": 19,
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"elements": [
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"Mn",
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