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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=10397",
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"results": [
{
"id": "mp-1640067",
"created_at": "2022-09-04T14:39:25.977018Z",
"structure_string": "Li4 Fe2 Co4 O12\n1.0\n2.509550 4.327156 0.426353\n0.381542 0.751358 10.065556\n5.024491 0.012541 0.194023\nLi Fe Co O\n4 2 4 12\ndirect\n0.064432 0.751669 0.661755 Li\n0.270618 0.249058 0.671077 Li\n0.734708 0.752955 0.359116 Li\n0.916440 0.245405 0.353729 Li\n0.006308 0.999597 0.994981 Fe\n0.498557 0.500292 0.002921 Fe\n0.164898 0.500174 0.668514 Co\n0.666906 0.000546 0.661197 Co\n0.342000 0.998934 0.319745 Co\n0.832595 0.499927 0.334059 Co\n0.108497 0.603598 0.009130 O\n0.309426 0.107795 0.975994 O\n0.702472 0.896468 0.981380 O\n0.883088 0.396293 0.004814 O\n0.009466 0.891015 0.352523 O\n0.179651 0.396254 0.349469 O\n0.467923 0.604300 0.352512 O\n0.633075 0.107943 0.356540 O\n0.965998 0.102954 0.644884 O\n0.391230 0.894106 0.649967 O\n0.539307 0.396988 0.646312 O\n0.812405 0.603729 0.649380 O\n",
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"formula_full": "Li4 Fe2 Co4 O12",
"formula_reduced": "Li2Fe(CoO3)2",
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{
"id": "mp-774754",
"created_at": "2022-09-04T14:39:26.126890Z",
"structure_string": "K1 Re4 O8 F13\n1.0\n2.713183 14.105798 0.000000\n-2.713183 14.105798 0.000000\n0.000000 0.906040 5.434629\nK Re O F\n1 4 8 13\ndirect\n0.509617 0.490383 0.500000 K\n0.873458 0.974009 0.084199 Re\n0.336040 0.262405 0.616465 Re\n0.737595 0.663960 0.383535 Re\n0.025991 0.126542 0.915801 Re\n0.696720 0.140937 0.826975 O\n0.915105 0.817148 0.175437 O\n0.185321 0.498894 0.693065 O\n0.636631 0.005096 0.689931 O\n0.994904 0.363369 0.310069 O\n0.501106 0.814679 0.306935 O\n0.182852 0.084895 0.824563 O\n0.859063 0.303280 0.173025 O\n0.183682 0.712220 0.909840 F\n0.047553 0.855882 0.353974 F\n0.587595 0.255355 0.288753 F\n0.367429 0.273792 0.276085 F\n0.249035 0.256037 0.895682 F\n0.987397 0.533687 0.502875 F\n0.466313 0.012603 0.497125 F\n0.743963 0.750965 0.104318 F\n0.726208 0.632571 0.723915 F\n0.744645 0.412405 0.711247 F\n0.144118 0.952447 0.646026 F\n0.287780 0.816318 0.090160 F\n0.833930 0.166070 0.000000 F\n",
"nsites": 26,
"nelements": 4,
"elements": [
"K",
"Re",
"O",
"F"
],
"chemical_system": "F-K-O-Re",
"density": 4.626139163924354,
"density_atomic": 0.06250240128272841,
"volume": 415.98401767620896,
"volume_molar": 9.635055032140224,
"formula_full": "K1 Re4 O8 F13",
"formula_reduced": "KRe4O8F13",
"formula_anonymous": "AB4C8D13",
"energy": -179.74562110000002,
"energy_per_atom": -6.9132931192307705,
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"energy_uncorrected": -168.2436211,
"band_gap": 2.9076,
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"updated_at": "2021-11-28T01:34:38.754000Z",
"spacegroup": 5
},
{
"id": "mp-1234982",
"created_at": "2022-09-04T14:39:26.272964Z",
"structure_string": "Mg1 Al1 Bi12 O20\n1.0\n-5.145356 -5.664162 5.170780\n-5.065207 5.664162 -5.095631\n5.145356 -5.664162 -5.170780\nMg Al Bi O\n1 1 12 20\ndirect\n0.834094 0.000000 0.834094 Mg\n0.060159 0.000000 0.060159 Al\n0.810892 0.681755 0.490825 Bi\n0.189228 0.691639 0.863488 Bi\n0.809070 0.318245 0.129137 Bi\n0.653220 0.553165 0.793760 Bi\n0.171849 0.308361 0.497589 Bi\n0.724705 0.870153 0.207617 Bi\n0.337464 0.129847 0.854552 Bi\n0.240595 0.446835 0.100055 Bi\n0.426018 0.794528 0.600495 Bi\n0.128413 0.826996 0.308124 Bi\n0.481128 0.173004 0.301417 Bi\n0.805967 0.205472 0.631490 Bi\n0.249946 0.206613 0.248742 O\n0.862071 0.996449 0.052472 O\n0.042128 0.793387 0.043333 O\n0.056022 0.003551 0.865622 O\n0.688500 0.816566 0.418938 O\n0.326650 0.701219 0.093548 O\n0.602372 0.183434 0.871934 O\n0.759752 0.427024 0.638361 O\n0.392328 0.298781 0.625430 O\n0.754373 0.134810 0.356631 O\n0.221822 0.865190 0.619565 O\n0.211338 0.572976 0.332728 O\n0.365236 0.646989 0.731731 O\n0.871356 0.604719 0.216468 O\n0.611749 0.395281 0.266639 O\n0.084742 0.353011 0.718246 O\n0.664599 0.707081 0.658677 O\n0.389570 0.007077 0.013836 O\n0.951596 0.292919 0.957518 O\n0.006759 0.992923 0.382493 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Mg",
"Al",
"Bi",
"O"
],
"chemical_system": "Al-Bi-Mg-O",
"density": 8.052257398472467,
"density_atomic": 0.05726639831220511,
"volume": 593.7164026736709,
"volume_molar": 10.516011024769666,
"formula_full": "Mg1 Al1 Bi12 O20",
"formula_reduced": "MgAl(Bi3O5)4",
"formula_anonymous": "ABC12D20",
"energy": -209.23763224,
"energy_per_atom": -6.154048007058824,
"energy_above_hull": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.407000Z",
"spacegroup": 5
},
{
"id": "mp-561320",
"created_at": "2022-09-04T14:39:26.544281Z",
"structure_string": "Pb2 S2\n1.0\n3.012737 3.003715 0.000000\n-3.012737 3.003715 0.000000\n0.000000 2.132706 22.337020\nPb S\n2 2\ndirect\n0.270001 0.273719 0.937441 Pb\n0.726281 0.729999 0.062559 Pb\n0.751790 0.788672 0.942033 S\n0.211328 0.248210 0.057967 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pb",
"S"
],
"chemical_system": "Pb-S",
"density": 1.965545465358616,
"density_atomic": 0.00989429416476278,
"volume": 404.2734058024544,
"volume_molar": 60.86478388167453,
"formula_full": "Pb2 S2",
"formula_reduced": "PbS",
"formula_anonymous": "AB",
"energy": -18.60239507,
"energy_per_atom": -4.6505987675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -17.59639507,
"band_gap": 1.6721,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 2.28e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:30.479000Z",
"spacegroup": 5
},
{
"id": "mp-754788",
"created_at": "2022-09-04T14:39:26.692740Z",
"structure_string": "Mn6 O4 F8\n1.0\n3.344747 3.356920 0.000000\n-3.344747 3.356920 0.000000\n0.000000 0.155742 9.698579\nMn O F\n6 4 8\ndirect\n0.045039 0.013923 0.825726 Mn\n0.986077 0.954961 0.174274 Mn\n0.015573 0.984427 0.500000 Mn\n0.475131 0.513248 0.674760 Mn\n0.512331 0.487669 0.000000 Mn\n0.486752 0.524869 0.325240 Mn\n0.182312 0.795957 0.332507 O\n0.204043 0.817688 0.667493 O\n0.682149 0.679322 0.165937 O\n0.320678 0.317851 0.834063 O\n0.207457 0.792543 0.000000 F\n0.728816 0.718929 0.837229 F\n0.677095 0.700307 0.512290 F\n0.281071 0.271184 0.162771 F\n0.299693 0.322905 0.487710 F\n0.823509 0.176491 0.000000 F\n0.780805 0.208532 0.341332 F\n0.791468 0.219195 0.658668 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.159982610766224,
"density_atomic": 0.0826475791973624,
"volume": 217.79222301255797,
"volume_molar": 7.286530130082975,
"formula_full": "Mn6 O4 F8",
"formula_reduced": "Mn3(OF2)2",
"formula_anonymous": "A2B3C4",
"energy": -135.63758918,
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"updated_at": "2021-11-28T01:34:43.713000Z",
"spacegroup": 5
},
{
"id": "mp-1565491",
"created_at": "2022-09-04T14:39:26.919357Z",
"structure_string": "Li2 V4 Ni2 O12\n1.0\n-1.584109 1.428693 5.195394\n6.909123 -0.396425 -0.093323\n-1.105373 6.831862 0.093900\nLi V Ni O\n2 4 2 12\ndirect\n0.249345 0.271397 0.271966 Li\n0.749800 0.722516 0.722656 Li\n0.263610 0.816601 0.377988 V\n0.701197 0.160466 0.611146 V\n0.236357 0.377888 0.816448 V\n0.798674 0.611272 0.160553 V\n0.750153 0.070360 0.070320 Ni\n0.250121 0.912875 0.912863 Ni\n0.647639 0.990967 0.798145 O\n0.151697 0.196575 0.982630 O\n0.852441 0.798067 0.990758 O\n0.348469 0.982708 0.196534 O\n0.813979 0.107104 0.352643 O\n0.686405 0.352761 0.107582 O\n0.190054 0.608626 0.965433 O\n0.310190 0.965681 0.608597 O\n0.568591 0.408115 0.694863 O\n0.057316 0.314032 0.636695 O\n0.931372 0.695165 0.408202 O\n0.442590 0.636825 0.313978 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"V",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O-V",
"density": 3.627913828715056,
"density_atomic": 0.0829095392697564,
"volume": 241.2267656551261,
"volume_molar": 7.263507689273514,
"formula_full": "Li2 V4 Ni2 O12",
"formula_reduced": "LiV2NiO6",
"formula_anonymous": "ABC2D6",
"energy": -154.61410496,
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"updated_at": "2021-11-28T01:34:42.645000Z",
"spacegroup": 5
},
{
"id": "mp-863366",
"created_at": "2022-09-04T14:39:26.962709Z",
"structure_string": "Li6 V6 P16 O58\n1.0\n4.882925 8.476671 0.000000\n-4.882925 8.476671 0.000000\n0.000000 0.003483 13.973020\nLi V P O\n6 6 16 58\ndirect\n0.772842 0.905845 0.195031 Li\n0.772766 0.317265 0.688421 Li\n0.682735 0.227234 0.311579 Li\n0.312974 0.777874 0.196362 Li\n0.222126 0.687026 0.803638 Li\n0.094155 0.227158 0.804969 Li\n0.564862 0.435138 0.500000 V\n0.435930 0.564070 0.000000 V\n0.563888 0.003052 0.992351 V\n0.431814 0.002322 0.502643 V\n0.997678 0.568186 0.497357 V\n0.996948 0.436112 0.007649 V\n0.915916 0.767699 0.906691 P\n0.768618 0.913700 0.409736 P\n0.915472 0.312822 0.404753 P\n0.667497 0.666060 0.621085 P\n0.663383 0.671672 0.121737 P\n0.773232 0.316314 0.907945 P\n0.683686 0.226768 0.092055 P\n0.312735 0.914921 0.906575 P\n0.687178 0.084528 0.595247 P\n0.316609 0.774022 0.409421 P\n0.225978 0.683391 0.590579 P\n0.333940 0.332503 0.378915 P\n0.328328 0.336617 0.878263 P\n0.085079 0.687265 0.093425 P\n0.232301 0.084084 0.093309 P\n0.086300 0.231382 0.590264 P\n0.994253 0.766450 0.180089 O\n0.913133 0.745008 0.413347 O\n0.767938 0.000469 0.683395 O\n0.744353 0.910443 0.915184 O\n0.908568 0.615015 0.928658 O\n0.815873 0.663263 0.574752 O\n0.908052 0.473759 0.425500 O\n0.000011 0.243646 0.681864 O\n0.918902 0.338981 0.913447 O\n0.668151 0.817455 0.079709 O\n0.616823 0.905578 0.427106 O\n0.812614 0.519618 0.076525 O\n0.670905 0.656910 0.727390 O\n0.663212 0.668782 0.227692 O\n0.669870 0.511414 0.579746 O\n0.476352 0.904398 0.925064 O\n0.520164 0.814020 0.577237 O\n0.743063 0.340192 0.411226 O\n0.792461 0.207539 0.000000 O\n0.750615 0.240828 0.183216 O\n0.759172 0.249385 0.816784 O\n0.619080 0.478634 0.930297 O\n0.512323 0.670402 0.079304 O\n0.659808 0.256937 0.588774 O\n0.477807 0.618728 0.429714 O\n0.343383 0.915857 0.417360 O\n0.790018 0.005970 0.497754 O\n0.756354 0.999989 0.318136 O\n0.240473 0.995567 0.179993 O\n0.661019 0.081098 0.086553 O\n0.521366 0.380920 0.069703 O\n0.338660 0.744145 0.910256 O\n0.488586 0.330130 0.420254 O\n0.381272 0.522193 0.570286 O\n0.240363 0.751780 0.681667 O\n0.248220 0.759637 0.318333 O\n0.205782 0.794218 0.500000 O\n0.255855 0.661340 0.089744 O\n0.480382 0.187386 0.923475 O\n0.526241 0.091948 0.574500 O\n0.329598 0.487677 0.920696 O\n0.331218 0.336788 0.772308 O\n0.343090 0.329095 0.272610 O\n0.185980 0.479836 0.422763 O\n0.384985 0.091432 0.071342 O\n0.336737 0.184127 0.425248 O\n0.084143 0.656617 0.582640 O\n0.002000 0.791711 0.999441 O\n0.004433 0.759527 0.820007 O\n0.095602 0.523648 0.074936 O\n0.182545 0.331849 0.920291 O\n0.094422 0.383177 0.572894 O\n0.254992 0.086867 0.586653 O\n0.233550 0.005747 0.819911 O\n0.208289 0.998000 0.000559 O\n0.089557 0.255647 0.084816 O\n0.999531 0.232062 0.316605 O\n0.994030 0.209982 0.502246 O\n",
"nsites": 86,
"nelements": 4,
"elements": [
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"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 2.5421598737314315,
"density_atomic": 0.07434859976595534,
"volume": 1156.7131092007453,
"volume_molar": 8.099871119237372,
"formula_full": "Li6 V6 P16 O58",
"formula_reduced": "Li3V3P8O29",
"formula_anonymous": "A3B3C8D29",
"energy": -655.85688969,
"energy_per_atom": -7.626242903372093,
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"updated_at": "2021-11-28T01:34:23.654000Z",
"spacegroup": 5
},
{
"id": "mp-1647689",
"created_at": "2022-09-04T14:39:26.968699Z",
"structure_string": "Li8 Ti2 Co10 O24\n1.0\n2.466419 4.272034 -0.378440\n-2.890484 3.614062 9.797511\n7.512333 -4.311272 0.017725\nLi Ti Co O\n8 2 10 24\ndirect\n0.039036 0.747121 0.207804 Li\n0.538934 0.746707 0.709569 Li\n0.461727 0.252309 0.961505 Li\n0.958368 0.253415 0.462807 Li\n0.549831 0.747667 0.046677 Li\n0.045247 0.747585 0.545780 Li\n0.953825 0.252885 0.798038 Li\n0.454822 0.252709 0.298224 Li\n0.999828 0.999917 0.000929 Ti\n0.500009 0.000013 0.501189 Ti\n0.750875 0.499808 0.746430 Co\n0.748800 0.500044 0.411179 Co\n0.750669 0.500788 0.080215 Co\n0.499862 0.999851 0.833921 Co\n0.999809 0.000122 0.334064 Co\n0.250914 0.499944 0.245996 Co\n0.251725 0.500371 0.914769 Co\n0.249021 0.498968 0.583375 Co\n0.999893 0.000022 0.667133 Co\n0.499788 0.000111 0.167138 Co\n0.410532 0.601387 0.793598 O\n0.906353 0.603940 0.292135 O\n0.594199 0.395475 0.187172 O\n0.087275 0.397161 0.691332 O\n0.822628 0.105554 0.552924 O\n0.322486 0.105646 0.052992 O\n0.177187 0.894401 0.448204 O\n0.677058 0.894443 0.948307 O\n0.309933 0.105606 0.723994 O\n0.809571 0.105751 0.224093 O\n0.189921 0.894466 0.119141 O\n0.690192 0.894205 0.619202 O\n0.809761 0.104886 0.881715 O\n0.309842 0.105134 0.381936 O\n0.689896 0.895234 0.277710 O\n0.189785 0.894785 0.777466 O\n0.089702 0.392347 0.018687 O\n0.584882 0.392995 0.523504 O\n0.617737 0.394296 0.872080 O\n0.107015 0.393981 0.375397 O\n0.413816 0.608669 0.127805 O\n0.911128 0.605389 0.631655 O\n0.885023 0.608185 0.980826 O\n0.391098 0.605707 0.481380 O\n",
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"O"
],
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"volume": 424.5473748458334,
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"formula_full": "Li8 Ti2 Co10 O24",
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