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{
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"results": [
{
"id": "mp-1220715",
"created_at": "2022-09-04T14:39:59.418109Z",
"structure_string": "Nb3 Fe1 Bi6 O18\n1.0\n5.492667 0.000000 0.000000\n-0.011295 5.550474 0.000000\n-2.668329 -0.098502 12.966802\nNb Fe Bi O\n3 1 6 18\ndirect\n0.164628 0.300426 0.825920 Nb\n0.661980 0.801145 0.825818 Nb\n0.839580 0.811945 0.177927 Nb\n0.331176 0.308081 0.176807 Fe\n0.993311 0.254028 0.396655 Bi\n0.574820 0.251249 0.594377 Bi\n0.022076 0.764496 0.595002 Bi\n0.431311 0.731993 0.397098 Bi\n0.744532 0.253141 0.015081 Bi\n0.264521 0.748813 0.013892 Bi\n0.242083 0.523306 0.501962 O\n0.741982 0.523771 0.497296 O\n0.758549 0.020274 0.497390 O\n0.257728 0.020141 0.500948 O\n0.329809 0.348809 0.997621 O\n0.666585 0.847860 0.997508 O\n0.358281 0.626642 0.825079 O\n0.527537 0.631356 0.168189 O\n0.644581 0.128987 0.168348 O\n0.467373 0.125809 0.824968 O\n0.334677 0.335122 0.320844 O\n0.027021 0.316591 0.684402 O\n0.656401 0.818772 0.683648 O\n0.970170 0.812654 0.319381 O\n0.025070 0.541859 0.129713 O\n0.896306 0.541157 0.867363 O\n0.971688 0.039321 0.867269 O\n0.096226 0.034052 0.129493 O\n",
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],
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"formula_full": "Nb3 Fe1 Bi6 O18",
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"updated_at": "2021-11-28T01:34:53.969000Z",
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},
{
"id": "mp-763169",
"created_at": "2022-09-04T14:39:59.420125Z",
"structure_string": "V6 O9 F9\n1.0\n5.185635 0.000000 0.000000\n2.581947 4.561247 0.000000\n0.191950 0.121381 13.244617\nV O F\n6 9 9\ndirect\n0.968973 0.037934 0.487163 V\n0.985533 0.991572 0.004116 V\n0.380322 0.339583 0.830900 V\n0.683494 0.708059 0.669381 V\n0.348459 0.339847 0.327859 V\n0.639347 0.672032 0.158006 V\n0.571312 0.993910 0.749885 O\n0.669761 0.091503 0.422099 O\n0.662861 0.241696 0.911375 O\n0.905638 0.756251 0.587703 O\n0.565114 0.422347 0.253446 O\n0.425471 0.558959 0.748027 O\n0.087909 0.237129 0.421085 O\n0.775328 0.906202 0.082372 O\n0.353637 0.748049 0.081866 O\n0.989838 0.418327 0.750376 F\n0.935447 0.328089 0.083885 F\n0.764026 0.320338 0.587409 F\n0.403270 0.000441 0.252041 F\n0.981416 0.589203 0.253409 F\n0.235680 0.082278 0.914561 F\n0.245312 0.670718 0.423843 F\n0.079318 0.651905 0.912251 F\n0.342534 0.893630 0.586942 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.2897006654447836,
"density_atomic": 0.07661014810040642,
"volume": 313.2744237557828,
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"formula_full": "V6 O9 F9",
"formula_reduced": "V2(OF)3",
"formula_anonymous": "A2B3C3",
"energy": -179.99032526,
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"spacegroup": 1
},
{
"id": "mp-1219145",
"created_at": "2022-09-04T14:39:59.426380Z",
"structure_string": "Re2 Te8 Mo4\n1.0\n7.106992 0.000000 0.000000\n-0.350823 7.142201 0.000000\n-0.349323 -0.385434 7.150136\nRe Te Mo\n2 8 4\ndirect\n0.451359 0.750626 0.582236 Re\n0.750589 0.582003 0.455321 Re\n0.258060 0.624090 0.879562 Te\n0.621558 0.879924 0.263609 Te\n0.881932 0.261790 0.620681 Te\n0.745209 0.377008 0.123274 Te\n0.379516 0.116032 0.742014 Te\n0.118069 0.743639 0.376433 Te\n0.788413 0.790892 0.785504 Te\n0.209622 0.211515 0.205867 Te\n0.584077 0.455156 0.756220 Mo\n0.547464 0.245272 0.416814 Mo\n0.248513 0.415346 0.546229 Mo\n0.415618 0.546707 0.246237 Mo\n",
"nsites": 14,
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"elements": [
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"Te",
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],
"chemical_system": "Mo-Re-Te",
"density": 8.130139055112906,
"density_atomic": 0.03857410323800821,
"volume": 362.93779569204304,
"volume_molar": 15.611874948440036,
"formula_full": "Re2 Te8 Mo4",
"formula_reduced": "Re(Te2Mo)2",
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"energy": -99.9493049,
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"updated_at": "2021-11-28T01:34:43.675000Z",
"spacegroup": 1
},
{
"id": "mp-807569",
"created_at": "2022-09-04T14:39:59.444502Z",
"structure_string": "Li8 Co2 O6 F2\n1.0\n5.225015 0.000000 0.000000\n-2.144947 -4.898018 0.000000\n0.957346 2.475241 -7.290837\nLi Co O F\n8 2 6 2\ndirect\n0.739790 0.764854 0.993821 Li\n0.283746 0.034631 0.780708 Li\n0.243165 0.928066 0.583363 Li\n0.754144 0.368772 0.558031 Li\n0.244797 0.625763 0.427078 Li\n0.770451 0.065085 0.421684 Li\n0.726324 0.971453 0.214314 Li\n0.247129 0.252345 0.000286 Li\n0.740707 0.614168 0.794126 Co\n0.304912 0.360160 0.242492 Co\n0.834451 0.176274 0.985472 O\n0.501507 0.781862 0.801135 O\n0.983849 0.081846 0.606988 O\n0.459996 0.463399 0.375565 O\n0.011532 0.902925 0.398172 O\n0.501056 0.233209 0.192843 O\n0.506572 0.561602 0.621302 F\n0.145872 0.813590 0.002616 F\n",
"nsites": 18,
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"elements": [
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"Co",
"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 2.7355844678175014,
"density_atomic": 0.09646887143286043,
"volume": 186.58868640883276,
"volume_molar": 6.24257407654161,
"formula_full": "Li8 Co2 O6 F2",
"formula_reduced": "Li4CoO3F",
"formula_anonymous": "ABC3D4",
"energy": -41.32764858,
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"updated_at": "2021-11-28T01:34:41.690000Z",
"spacegroup": 1
},
{
"id": "mp-1101556",
"created_at": "2022-09-04T14:39:59.468395Z",
"structure_string": "Fe9 P12 O48\n1.0\n13.396334 -0.001624 1.023411\n-0.131238 7.836631 -0.162231\n-0.010407 0.010437 8.941160\nFe P O\n9 12 48\ndirect\n0.167924 0.132840 0.420708 Fe\n0.838076 0.029126 0.170510 Fe\n0.830497 0.634161 0.081692 Fe\n0.172805 0.003449 0.838530 Fe\n0.830081 0.493650 0.658908 Fe\n0.160037 0.531005 0.324945 Fe\n0.499112 0.866196 0.913117 Fe\n0.497544 0.994544 0.493075 Fe\n0.506603 0.467391 0.007895 Fe\n0.610776 0.793138 0.192605 P\n0.387713 0.194961 0.801870 P\n0.057197 0.313546 0.640130 P\n0.279281 0.700108 0.022740 P\n0.280242 0.804022 0.530759 P\n0.058107 0.203179 0.138537 P\n0.942966 0.705325 0.362272 P\n0.941643 0.814085 0.858044 P\n0.721558 0.191609 0.474761 P\n0.722383 0.296297 0.966788 P\n0.609519 0.686583 0.692761 P\n0.387486 0.299665 0.309032 P\n0.271350 0.294654 0.343039 O\n0.434511 0.422050 0.424610 O\n0.728655 0.794554 0.161377 O\n0.417837 0.143914 0.637355 O\n0.055307 0.818930 0.822622 O\n0.395719 0.704313 0.989098 O\n0.910897 0.858806 0.027085 O\n0.750560 0.355950 0.806213 O\n0.559250 0.865521 0.689052 O\n0.436195 0.127240 0.331800 O\n0.085730 0.139254 0.977326 O\n0.608201 0.176503 0.517746 O\n0.430538 0.373564 0.838068 O\n0.942996 0.316905 0.670884 O\n0.744915 0.133645 0.311774 O\n0.395189 0.808049 0.505102 O\n0.248840 0.852921 0.695327 O\n0.101263 0.384595 0.165083 O\n0.098735 0.078673 0.251367 O\n0.767988 0.369413 0.497039 O\n0.942663 0.203684 0.163177 O\n0.576896 0.638926 0.858883 O\n0.756640 0.060819 0.591080 O\n0.090837 0.360570 0.474265 O\n0.231039 0.576204 0.910171 O\n0.902478 0.578728 0.244977 O\n0.085769 0.440801 0.763124 O\n0.606792 0.291423 0.991602 O\n0.566944 0.612996 0.165542 O\n0.914112 0.641156 0.521938 O\n0.106771 0.133840 0.644270 O\n0.585519 0.857980 0.353368 O\n0.571795 0.919114 0.079874 O\n0.258448 0.634590 0.182108 O\n0.761657 0.428837 0.079525 O\n0.232640 0.874432 0.001338 O\n0.888342 0.633809 0.850548 O\n0.059032 0.705355 0.340818 O\n0.910384 0.941630 0.743238 O\n0.579782 0.559527 0.570259 O\n0.272725 0.191582 0.827553 O\n0.429212 0.066140 0.908499 O\n0.902217 0.885090 0.338060 O\n0.766988 0.122030 0.998150 O\n0.237984 0.625428 0.492190 O\n0.723601 0.685605 0.662096 O\n0.239088 0.933853 0.424775 O\n0.407659 0.364155 0.149552 O\n",
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"formula_full": "Fe9 P12 O48",
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"formula_anonymous": "A3B4C16",
"energy": -522.80004873,
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"updated_at": "2021-11-28T01:34:44.511000Z",
"spacegroup": 1
},
{
"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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"volume": 478.9793097294189,
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"formula_full": "Mg12 V8 O24",
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{
"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",
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{
"id": "mp-1073734",
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"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",
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{
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{
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],
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{
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"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",
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{
"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",
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]
}