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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=total_magnetization&page=11561",
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"results": [
{
"id": "mp-755250",
"created_at": "2022-09-04T14:40:14.667445Z",
"structure_string": "Mn6 O4 F8\n1.0\n5.690179 0.000000 0.000000\n1.737199 5.531053 0.000000\n2.117299 1.547288 6.948742\nMn O F\n6 4 8\ndirect\n0.697985 0.680023 0.836758 Mn\n0.307263 0.367888 0.681304 Mn\n0.692737 0.632112 0.318696 Mn\n0.302015 0.319977 0.163242 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.019662 0.671006 0.662308 O\n0.203564 0.231849 0.970088 O\n0.796436 0.768151 0.029912 O\n0.980338 0.328994 0.337692 O\n0.378541 0.937624 0.342255 F\n0.911728 0.895819 0.293295 F\n0.584138 0.575574 0.635294 F\n0.088272 0.104181 0.706705 F\n0.415862 0.424426 0.364706 F\n0.621459 0.062376 0.657745 F\n0.331192 0.703967 0.989168 F\n0.668808 0.296033 0.010832 F\n",
"nsites": 18,
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"elements": [
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"O",
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"density": 4.1427998078307,
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"formula_full": "Mn6 O4 F8",
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"updated_at": "2021-11-28T01:34:56.452000Z",
"spacegroup": 2
},
{
"id": "mp-755248",
"created_at": "2022-09-04T14:44:20.723914Z",
"structure_string": "Mn8 O14 F2\n1.0\n4.962709 0.000000 0.000000\n0.000000 7.000102 0.000000\n0.000000 1.463076 7.028165\nMn O F\n8 14 2\ndirect\n0.264342 0.824038 0.064016 Mn\n0.745716 0.171857 0.412872 Mn\n0.261941 0.324069 0.069871 Mn\n0.728526 0.672341 0.432919 Mn\n0.245716 0.828143 0.587128 Mn\n0.764342 0.175962 0.935984 Mn\n0.761941 0.675931 0.930129 Mn\n0.228526 0.327659 0.567081 Mn\n0.935592 0.190251 0.165939 O\n0.434945 0.076721 0.064989 O\n0.089672 0.577760 0.061371 O\n0.066471 0.078845 0.558034 O\n0.583687 0.690704 0.171130 O\n0.566471 0.921155 0.441966 O\n0.914067 0.690118 0.671754 O\n0.405890 0.577121 0.559634 O\n0.934945 0.923279 0.935011 O\n0.435592 0.809749 0.834061 O\n0.414067 0.309882 0.328246 O\n0.905890 0.422879 0.440366 O\n0.083687 0.309296 0.828870 O\n0.589672 0.422240 0.938629 O\n0.569151 0.190010 0.683519 F\n0.069151 0.809990 0.316481 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.770975290884697,
"density_atomic": 0.09829832431738186,
"volume": 244.15472152414034,
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"formula_full": "Mn8 O14 F2",
"formula_reduced": "Mn4O7F",
"formula_anonymous": "AB4C7",
"energy": -191.70484103,
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"updated_at": "2021-11-28T01:36:34.366000Z",
"spacegroup": 4
},
{
"id": "mp-766499",
"created_at": "2022-09-04T14:43:24.965329Z",
"structure_string": "Li8 Mn6 B8 O24\n1.0\n9.147063 0.000000 0.000000\n0.000000 5.339827 0.000000\n0.000000 5.000643 9.685127\nLi Mn B O\n8 6 8 24\ndirect\n0.235639 0.503934 0.342472 Li\n0.908452 0.453264 0.366886 Li\n0.429322 0.542459 0.126858 Li\n0.740353 0.067008 0.619140 Li\n0.764361 0.503934 0.842472 Li\n0.091548 0.453264 0.866886 Li\n0.259647 0.067008 0.119140 Li\n0.570678 0.542459 0.626858 Li\n0.573105 0.985776 0.875119 Mn\n0.245787 0.948959 0.881958 Mn\n0.064201 0.015427 0.621993 Mn\n0.426895 0.985776 0.375119 Mn\n0.754213 0.948959 0.381958 Mn\n0.935799 0.015427 0.121993 Mn\n0.570996 0.448689 0.383655 B\n0.907115 0.964263 0.867269 B\n0.075042 0.549708 0.117355 B\n0.413972 0.027797 0.635374 B\n0.092885 0.964263 0.367269 B\n0.429004 0.448689 0.883655 B\n0.586028 0.027797 0.135374 B\n0.924958 0.549708 0.617355 B\n0.563845 0.863642 0.068933 O\n0.921338 0.320421 0.589451 O\n0.202963 0.700134 0.107163 O\n0.540958 0.118135 0.678119 O\n0.278007 0.092733 0.664084 O\n0.943639 0.624876 0.154557 O\n0.438157 0.384096 0.341716 O\n0.697875 0.300027 0.401866 O\n0.778313 0.862945 0.847651 O\n0.036659 0.877334 0.825897 O\n0.080526 0.160645 0.419565 O\n0.427838 0.676661 0.913136 O\n0.078662 0.320421 0.089451 O\n0.436155 0.863642 0.568933 O\n0.797037 0.700134 0.607163 O\n0.459042 0.118135 0.178119 O\n0.721993 0.092733 0.164084 O\n0.056361 0.624876 0.654557 O\n0.561843 0.384096 0.841716 O\n0.221687 0.862945 0.347651 O\n0.963341 0.877334 0.325897 O\n0.302125 0.300027 0.901866 O\n0.572162 0.676661 0.413136 O\n0.919474 0.160645 0.919565 O\n",
"nsites": 46,
"nelements": 4,
"elements": [
"Li",
"Mn",
"B",
"O"
],
"chemical_system": "B-Li-Mn-O",
"density": 3.0034531205349264,
"density_atomic": 0.09723970989371421,
"volume": 473.0577667321233,
"volume_molar": 6.193087954069765,
"formula_full": "Li8 Mn6 B8 O24",
"formula_reduced": "Li4Mn3(BO3)4",
"formula_anonymous": "A3B4C4D12",
"energy": -356.20806131,
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"energy_uncorrected": -329.71206131,
"band_gap": 0.4946999999999999,
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"is_magnetic": true,
"total_magnetization": 26.0021059,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.197000Z",
"spacegroup": 7
},
{
"id": "mp-1235585",
"created_at": "2022-09-04T14:41:11.278386Z",
"structure_string": "Li1 Mn6 O5 F7\n1.0\n-4.635795 4.800024 3.097189\n0.171901 5.024253 -3.161171\n-4.817601 -0.163877 -3.134981\nLi Mn O F\n1 6 5 7\ndirect\n0.328976 0.182646 0.680979 Li\n0.833569 0.674913 0.658548 Mn\n0.677938 0.335421 0.335483 Mn\n0.331247 0.695581 0.644406 Mn\n0.154228 0.321191 0.298455 Mn\n0.514089 0.975164 0.070492 Mn\n0.982127 0.996804 0.004916 Mn\n0.629560 0.573813 0.546820 O\n0.957323 0.209452 0.234158 O\n0.700081 0.104465 0.125336 O\n0.033207 0.789538 0.762859 O\n0.332930 0.994148 0.389787 O\n0.621079 0.034188 0.681357 F\n0.327167 0.372380 0.922817 F\n0.290159 0.911757 0.936653 F\n0.373244 0.433701 0.402568 F\n0.671145 0.627677 0.017658 F\n0.034158 0.308080 0.694795 F\n0.004069 0.677833 0.300247 F\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 4.0380986741337175,
"density_atomic": 0.0840756423330564,
"volume": 225.98697402433862,
"volume_molar": 7.162765092110689,
"formula_full": "Li1 Mn6 O5 F7",
"formula_reduced": "LiMn6O5F7",
"formula_anonymous": "AB5C6D7",
"energy": -141.50261863,
"energy_per_atom": -7.44750624368421,
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"updated_at": "2021-11-28T01:35:16.454000Z",
"spacegroup": 1
},
{
"id": "mp-1100517",
"created_at": "2022-09-04T14:42:45.003395Z",
"structure_string": "Li9 Mn7 O16\n1.0\n6.042881 0.000000 0.000000\n-1.652411 -6.279540 0.000000\n-2.165767 0.274948 -7.852583\nLi Mn O\n9 7 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.633256 0.627664 0.868551 Li\n0.868863 0.881149 0.642392 Li\n0.500000 0.500000 0.500000 Li\n0.744577 0.763942 0.236676 Li\n0.366744 0.372336 0.131449 Li\n0.255423 0.236058 0.763324 Li\n0.131137 0.118851 0.357608 Li\n0.500000 0.000000 0.000000 Li\n0.872864 0.368312 0.123745 Mn\n0.127136 0.631688 0.876255 Mn\n0.746014 0.250250 0.754980 Mn\n0.373021 0.878854 0.631755 Mn\n0.000000 0.500000 0.500000 Mn\n0.626979 0.121146 0.368245 Mn\n0.253986 0.749750 0.245020 Mn\n0.819213 0.081595 0.188359 O\n0.401095 0.687703 0.074961 O\n0.681580 0.949736 0.800164 O\n0.304394 0.573517 0.672909 O\n0.555811 0.820546 0.416552 O\n0.181153 0.449835 0.302637 O\n0.054728 0.320766 0.920745 O\n0.905210 0.201381 0.574356 O\n0.180787 0.918405 0.811641 O\n0.818847 0.550165 0.697363 O\n0.094790 0.798619 0.425644 O\n0.695606 0.426483 0.327091 O\n0.945272 0.679234 0.079255 O\n0.598905 0.312297 0.925039 O\n0.444189 0.179454 0.583448 O\n0.318420 0.050264 0.199836 O\n",
"nsites": 32,
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"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.9177426056822666,
"density_atomic": 0.10739042712152784,
"volume": 297.9781425376711,
"volume_molar": 5.607707243016247,
"formula_full": "Li9 Mn7 O16",
"formula_reduced": "Li9Mn7O16",
"formula_anonymous": "A7B9C16",
"energy": -228.8816077,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:55.835000Z",
"spacegroup": 2
},
{
"id": "mp-1282876",
"created_at": "2022-09-04T14:43:09.892604Z",
"structure_string": "Mn6 O4 F8\n1.0\n-4.789946 -0.065225 0.066285\n0.154254 4.772780 -6.408596\n-0.020081 -4.792973 -3.219465\nMn O F\n6 4 8\ndirect\n0.469117 0.984835 0.498556 Mn\n0.530877 0.348613 0.834774 Mn\n0.954350 0.341833 0.335809 Mn\n0.045323 0.991422 0.997389 Mn\n0.999956 0.666679 0.666576 Mn\n0.499781 0.666671 0.166682 Mn\n0.802330 0.453962 0.640124 O\n0.675532 0.451545 0.115927 O\n0.324078 0.881824 0.217463 O\n0.197644 0.879429 0.693194 O\n0.786943 0.767750 0.964550 F\n0.724237 0.760390 0.464882 F\n0.275402 0.573079 0.868589 F\n0.213004 0.565370 0.368873 F\n0.790299 0.091294 0.302083 F\n0.685554 0.090190 0.783457 F\n0.315180 0.243308 0.549909 F\n0.210394 0.241810 0.031164 F\n",
"nsites": 18,
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"elements": [
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"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.106160344206339,
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"volume": 220.64697540872078,
"volume_molar": 7.382039689886527,
"formula_full": "Mn6 O4 F8",
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"formula_anonymous": "A2B3C4",
"energy": -135.5614776,
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"updated_at": "2021-11-28T01:36:08.289000Z",
"spacegroup": 2
},
{
"id": "mp-771959",
"created_at": "2022-09-04T14:44:58.009954Z",
"structure_string": "Li4 Mn6 W2 O16\n1.0\n3.025605 -5.240501 0.000000\n3.025605 5.240501 0.000000\n0.000000 0.000000 9.890450\nLi Mn W O\n4 6 2 16\ndirect\n0.333333 0.666667 0.906456 Li\n0.000000 0.000000 0.985309 Li\n0.000000 0.000000 0.485309 Li\n0.666667 0.333333 0.406456 Li\n0.170371 0.829629 0.213328 Mn\n0.170371 0.340742 0.213328 Mn\n0.659258 0.829629 0.213328 Mn\n0.340742 0.170371 0.713328 Mn\n0.829629 0.659258 0.713328 Mn\n0.829629 0.170371 0.713328 Mn\n0.333333 0.666667 0.485973 W\n0.666667 0.333333 0.985973 W\n0.173480 0.826520 0.586126 O\n0.039551 0.519775 0.355939 O\n0.333333 0.666667 0.114733 O\n0.000000 0.000000 0.295289 O\n0.000000 0.000000 0.795289 O\n0.173480 0.346960 0.586126 O\n0.480225 0.960449 0.355939 O\n0.480225 0.519775 0.355939 O\n0.346960 0.173480 0.086126 O\n0.653040 0.826520 0.586126 O\n0.519775 0.480225 0.855939 O\n0.519775 0.039551 0.855939 O\n0.666667 0.333333 0.614733 O\n0.826520 0.653040 0.086126 O\n0.960449 0.480225 0.855939 O\n0.826520 0.173480 0.086126 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
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"Mn",
"W",
"O"
],
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"density": 5.194153303401802,
"density_atomic": 0.0892744013307122,
"volume": 313.6397397533422,
"volume_molar": 6.745652359729982,
"formula_full": "Li4 Mn6 W2 O16",
"formula_reduced": "Li2Mn3WO8",
"formula_anonymous": "AB2C3D8",
"energy": -227.96752129,
"energy_per_atom": -8.141697188928571,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:46.562000Z",
"spacegroup": 186
},
{
"id": "mp-1100520",
"created_at": "2022-09-04T14:48:07.915106Z",
"structure_string": "Li9 Mn7 O16\n1.0\n5.094550 0.000000 0.000000\n2.296009 7.342837 0.000000\n0.558750 1.308103 8.008119\nLi Mn O\n9 7 16\ndirect\n0.506925 0.561896 0.800289 Li\n0.498668 0.813080 0.066948 Li\n0.493075 0.438104 0.199711 Li\n0.490156 0.693314 0.438927 Li\n0.509844 0.306686 0.561073 Li\n0.501332 0.186920 0.933052 Li\n0.514580 0.060928 0.317853 Li\n0.485420 0.939072 0.682147 Li\n0.000000 0.000000 0.500000 Li\n0.006202 0.627859 0.622769 Mn\n0.993798 0.372141 0.377231 Mn\n0.001271 0.876692 0.868453 Mn\n0.998729 0.123308 0.131547 Mn\n0.000000 0.500000 0.000000 Mn\n0.995682 0.752142 0.255322 Mn\n0.004318 0.247858 0.744678 Mn\n0.770414 0.463845 0.609763 O\n0.765789 0.717092 0.857875 O\n0.791700 0.331593 0.954794 O\n0.769520 0.593569 0.227382 O\n0.758790 0.230288 0.342294 O\n0.768638 0.094396 0.730684 O\n0.768552 0.965627 0.110414 O\n0.783889 0.823580 0.454063 O\n0.208300 0.668407 0.045206 O\n0.231362 0.905604 0.269316 O\n0.229586 0.536155 0.390237 O\n0.241210 0.769712 0.657706 O\n0.230480 0.406431 0.772618 O\n0.234211 0.282908 0.142125 O\n0.216111 0.176420 0.545937 O\n0.231448 0.034373 0.889586 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
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"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.8969072881864366,
"density_atomic": 0.10681930393394412,
"volume": 299.5713211142852,
"volume_molar": 5.637689573154329,
"formula_full": "Li9 Mn7 O16",
"formula_reduced": "Li9Mn7O16",
"formula_anonymous": "A7B9C16",
"energy": -228.86013776,
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"updated_at": "2021-11-28T01:38:29.630000Z",
"spacegroup": 2
},
{
"id": "mp-1100521",
"created_at": "2022-09-04T14:45:06.236158Z",
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],
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"formula_full": "Li9 Mn7 O16",
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},
{
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"created_at": "2022-09-04T14:47:59.881169Z",
"structure_string": "Mn8 O14 F2\n1.0\n4.478226 -0.005956 -4.980840\n0.000000 5.508488 0.006416\n4.478226 0.005956 4.980840\nMn O F\n8 14 2\ndirect\n0.372865 0.352239 0.116881 Mn\n0.116540 0.669857 0.376073 Mn\n0.133119 0.852239 0.877135 Mn\n0.873927 0.169857 0.133460 Mn\n0.382556 0.130519 0.632332 Mn\n0.623822 0.855528 0.371278 Mn\n0.617668 0.630519 0.867444 Mn\n0.878722 0.355528 0.626178 Mn\n0.153164 0.114502 0.077350 O\n0.172650 0.614502 0.096836 O\n0.575200 0.607591 0.150779 O\n0.080128 0.614887 0.657277 O\n0.346476 0.889148 0.425511 O\n0.099221 0.107591 0.674800 O\n0.592723 0.114887 0.169872 O\n0.410060 0.885316 0.832404 O\n0.658885 0.106505 0.579138 O\n0.898275 0.895566 0.320253 O\n0.417596 0.385316 0.839940 O\n0.670862 0.606505 0.591115 O\n0.929747 0.395566 0.351725 O\n0.824489 0.389148 0.903524 O\n0.333433 0.378342 0.412129 F\n0.837871 0.878342 0.916567 F\n",
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"volume": 245.73691206348073,
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"formula_full": "Mn8 O14 F2",
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{
"id": "mp-850205",
"created_at": "2022-09-04T14:41:57.187170Z",
"structure_string": "Mn6 O4 F8\n1.0\n4.761966 0.000000 0.000000\n0.000000 5.801483 0.000000\n0.000000 0.498052 7.984906\nMn O F\n6 4 8\ndirect\n0.498181 0.571412 0.648351 Mn\n0.490080 0.228578 0.001084 Mn\n0.526341 0.904914 0.326067 Mn\n0.990080 0.771422 0.998916 Mn\n0.998181 0.428588 0.351649 Mn\n0.026341 0.095086 0.673933 Mn\n0.188482 0.043511 0.894495 O\n0.193340 0.386315 0.568944 O\n0.688482 0.956489 0.105505 O\n0.693340 0.613685 0.431056 O\n0.194269 0.714037 0.228537 F\n0.309566 0.885686 0.545893 F\n0.305100 0.545784 0.895659 F\n0.294642 0.213331 0.248738 F\n0.694269 0.285963 0.771463 F\n0.805100 0.454216 0.104341 F\n0.809566 0.114314 0.454107 F\n0.794642 0.786669 0.751262 F\n",
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"density": 4.107132944930543,
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"formula_full": "Mn6 O4 F8",
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"updated_at": "2021-11-28T01:35:36.816000Z",
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{
"id": "mp-755178",
"created_at": "2022-09-04T14:40:03.405984Z",
"structure_string": "Mn6 O4 F8\n1.0\n4.753425 0.000000 0.000000\n0.252818 5.820426 0.000000\n0.219410 0.381696 7.929074\nMn O F\n6 4 8\ndirect\n0.527021 0.510747 0.003595 Mn\n0.502867 0.830322 0.661170 Mn\n0.466023 0.185641 0.348108 Mn\n0.001916 0.337646 0.673609 Mn\n0.003160 0.651024 0.310552 Mn\n0.986002 0.989313 0.005698 Mn\n0.814793 0.696761 0.099839 O\n0.700729 0.539965 0.768719 O\n0.298313 0.131036 0.571525 O\n0.309687 0.472073 0.223696 O\n0.805964 0.360922 0.441659 F\n0.798694 0.044100 0.767763 F\n0.688461 0.191233 0.121802 F\n0.706977 0.861564 0.424531 F\n0.300563 0.804473 0.890391 F\n0.187645 0.630121 0.546756 F\n0.203726 0.967203 0.234276 F\n0.197460 0.295853 0.906313 F\n",
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]
}