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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-chemical_system&page=11569",
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"results": [
{
"id": "mp-699146",
"created_at": "2022-09-04T14:47:15.080025Z",
"structure_string": "Mg6 Al2 Fe2 Si6 O24\n1.0\n5.029414 0.000000 0.000000\n0.000000 4.858278 0.000000\n0.000000 0.004881 14.090010\nMg Al Fe Si O\n6 2 2 6 24\ndirect\n0.052066 0.240719 0.243457 Mg\n0.054279 0.237248 0.756610 Mg\n0.554279 0.762752 0.243390 Mg\n0.552066 0.759281 0.756543 Mg\n0.436358 0.736693 0.999458 Mg\n0.936358 0.263307 0.000542 Mg\n0.506069 0.242681 0.629474 Al\n0.006069 0.757319 0.370526 Al\n0.441436 0.729313 0.499782 Fe\n0.941436 0.270687 0.500218 Fe\n0.493190 0.251818 0.876196 Si\n0.493389 0.250989 0.123327 Si\n0.508031 0.240406 0.371364 Si\n0.993190 0.748182 0.123804 Si\n0.008031 0.759594 0.628636 Si\n0.993389 0.749011 0.876673 Si\n0.527719 0.146827 0.999377 O\n0.551459 0.128931 0.496890 O\n0.812847 0.078881 0.346554 O\n0.788457 0.054055 0.149682 O\n0.790091 0.049902 0.849638 O\n0.827791 0.059679 0.652268 O\n0.327791 0.940321 0.347732 O\n0.290091 0.950098 0.150362 O\n0.312847 0.921119 0.653446 O\n0.288457 0.945945 0.850318 O\n0.027719 0.853173 0.000623 O\n0.051459 0.871069 0.503110 O\n0.957843 0.646929 0.243818 O\n0.957949 0.643483 0.751186 O\n0.696013 0.553804 0.903002 O\n0.692689 0.552978 0.096184 O\n0.697873 0.545952 0.406128 O\n0.714458 0.564720 0.593242 O\n0.192689 0.447022 0.903816 O\n0.196013 0.446196 0.096998 O\n0.197873 0.454048 0.593872 O\n0.214458 0.435280 0.406758 O\n0.457949 0.356517 0.248814 O\n0.457843 0.353071 0.756182 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Mg",
"Al",
"Fe",
"Si",
"O"
],
"chemical_system": "Al-Fe-Mg-O-Si",
"density": 4.167183067246935,
"density_atomic": 0.11618470009063755,
"volume": 344.2794100152202,
"volume_molar": 5.183247669703524,
"formula_full": "Mg6 Al2 Fe2 Si6 O24",
"formula_reduced": "Mg3AlFe(SiO4)3",
"formula_anonymous": "ABC3D3E12",
"energy": -300.82749768,
"energy_per_atom": -7.520687442000001,
"energy_above_hull": null,
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"energy_uncorrected": -279.82749768,
"band_gap": 2.1812000000000005,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0010565,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:59.318000Z",
"spacegroup": 4
},
{
"id": "mp-1223304",
"created_at": "2022-09-04T14:45:38.322568Z",
"structure_string": "Mg2 Al16 Fe6 Si20 O73\n1.0\n-8.718908 -4.947230 0.001253\n-0.002601 9.896652 9.426551\n-0.001933 9.900255 -9.430333\nMg Al Fe Si O\n2 16 6 20 73\ndirect\n0.325288 0.206327 0.456470 Mg\n0.674813 0.293772 0.043699 Mg\n0.500287 0.624633 0.875210 Al\n0.499908 0.124864 0.375092 Al\n0.499697 0.374802 0.624572 Al\n0.499762 0.874999 0.124540 Al\n0.500478 0.375316 0.124853 Al\n0.500167 0.875072 0.625049 Al\n0.500123 0.125545 0.875330 Al\n0.500411 0.624709 0.375043 Al\n0.098727 0.928368 0.427833 Al\n0.098653 0.427728 0.927941 Al\n0.901271 0.571777 0.072130 Al\n0.901420 0.072233 0.572199 Al\n0.901229 0.628578 0.628533 Al\n0.901060 0.129055 0.128526 Al\n0.098737 0.371003 0.371468 Al\n0.098876 0.871430 0.871474 Al\n0.676275 0.043677 0.294065 Fe\n0.675426 0.543318 0.793724 Fe\n0.324149 0.705829 0.955601 Fe\n0.323306 0.455919 0.205779 Fe\n0.325910 0.956405 0.706237 Fe\n0.673720 0.793503 0.543447 Fe\n0.381051 0.384586 0.885307 Si\n0.380466 0.884824 0.384873 Si\n0.618720 0.115310 0.614710 Si\n0.619783 0.615190 0.115083 Si\n0.618936 0.444215 0.444768 Si\n0.619258 0.944608 0.944444 Si\n0.381304 0.055890 0.055353 Si\n0.380446 0.555334 0.555408 Si\n0.001056 0.125216 0.375328 Si\n0.999882 0.624950 0.875066 Si\n0.000045 0.875025 0.625107 Si\n0.998915 0.374793 0.124733 Si\n0.729725 0.299481 0.800205 Si\n0.729836 0.799597 0.299720 Si\n0.270442 0.200464 0.699970 Si\n0.269920 0.700226 0.200248 Si\n0.270893 0.184809 0.185511 Si\n0.270153 0.684898 0.684745 Si\n0.729348 0.815178 0.815108 Si\n0.729755 0.315446 0.314690 Si\n0.123987 0.247561 0.398891 O\n0.120908 0.747579 0.898519 O\n0.878230 0.601823 0.752447 O\n0.879171 0.101972 0.252706 O\n0.879102 0.588230 0.937233 O\n0.879369 0.088156 0.437117 O\n0.124029 0.064329 0.413088 O\n0.121522 0.563162 0.912461 O\n0.876013 0.252390 0.101098 O\n0.878443 0.752580 0.601185 O\n0.121253 0.898671 0.747498 O\n0.120609 0.398145 0.247326 O\n0.121966 0.912168 0.563532 O\n0.120678 0.411976 0.062996 O\n0.875957 0.435650 0.086892 O\n0.878119 0.936539 0.587760 O\n0.326452 0.293013 0.792758 O\n0.326525 0.792714 0.293101 O\n0.673441 0.207058 0.707112 O\n0.673658 0.707296 0.206967 O\n0.673535 0.379612 0.379671 O\n0.673256 0.879760 0.879613 O\n0.326910 0.120633 0.120496 O\n0.326310 0.620203 0.620297 O\n0.241033 0.902743 0.403110 O\n0.241472 0.402801 0.903084 O\n0.759223 0.597082 0.097216 O\n0.758383 0.097171 0.596848 O\n0.758721 0.531990 0.532528 O\n0.758441 0.032563 0.032286 O\n0.241815 0.968055 0.967443 O\n0.240974 0.467748 0.467505 O\n0.653392 0.689363 0.831292 O\n0.653184 0.189112 0.330870 O\n0.346856 0.169644 0.311868 O\n0.347405 0.669362 0.811048 O\n0.346657 0.253713 0.611491 O\n0.346820 0.754327 0.112637 O\n0.652387 0.387110 0.745559 O\n0.652633 0.887594 0.245702 O\n0.347019 0.810514 0.668425 O\n0.347037 0.311208 0.169309 O\n0.653167 0.330303 0.188188 O\n0.652916 0.831531 0.689622 O\n0.653465 0.246367 0.888577 O\n0.652712 0.744873 0.386701 O\n0.347258 0.113198 0.755206 O\n0.346936 0.612144 0.254185 O\n0.488456 0.498860 0.640297 O\n0.488159 0.998823 0.140315 O\n0.508798 0.357826 0.499728 O\n0.511494 0.859355 0.000721 O\n0.508711 0.146394 0.504519 O\n0.511793 0.646342 0.004725 O\n0.488839 0.494901 0.853625 O\n0.488260 0.995101 0.353642 O\n0.510671 0.001044 0.858932 O\n0.511890 0.501032 0.359702 O\n0.491443 0.142077 0.000369 O\n0.489106 0.641097 0.499165 O\n0.491230 0.353441 0.995429 O\n0.489063 0.853532 0.495387 O\n0.511003 0.004638 0.646222 O\n0.512019 0.504834 0.146398 O\n0.088153 0.147594 0.647591 O\n0.088040 0.647326 0.147726 O\n0.911823 0.352450 0.852252 O\n0.912018 0.852581 0.352561 O\n0.911957 0.353504 0.353598 O\n0.911577 0.853068 0.852909 O\n0.088509 0.147156 0.147080 O\n0.088022 0.646404 0.646474 O\n0.999995 0.999980 0.999974 O\n",
"nsites": 117,
"nelements": 5,
"elements": [
"Mg",
"Al",
"Fe",
"Si",
"O"
],
"chemical_system": "Al-Fe-Mg-O-Si",
"density": 2.596508606909107,
"density_atomic": 0.07188364196414507,
"volume": 1627.630387152039,
"volume_molar": 8.377623330498183,
"formula_full": "Mg2 Al16 Fe6 Si20 O73",
"formula_reduced": "Mg2Al16Fe6Si20O73",
"formula_anonymous": "A2B6C16D20E73",
"energy": -947.35711644,
"energy_per_atom": -8.097069371282052,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -883.67011644,
"band_gap": 0.0443999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 17.9999995,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:11.154000Z",
"spacegroup": 1
},
{
"id": "mp-1222261",
"created_at": "2022-09-04T14:40:52.207288Z",
"structure_string": "Mg3 Al8 Fe1 Si10 O36\n1.0\n8.665504 4.926099 0.000000\n-8.665504 4.926099 0.000000\n0.000000 0.004934 9.439809\nMg Al Fe Si O\n3 8 1 10 36\ndirect\n0.337480 0.662520 0.000000 Mg\n0.662510 0.337490 0.000000 Mg\n0.662539 0.337461 0.500000 Mg\n0.742374 0.642135 0.249878 Al\n0.257341 0.357413 0.249481 Al\n0.642587 0.742659 0.750519 Al\n0.357865 0.257626 0.750122 Al\n0.999963 0.500069 0.000023 Al\n0.499931 0.000037 0.999977 Al\n0.999152 0.499840 0.499868 Al\n0.500160 0.000848 0.500132 Al\n0.338245 0.661755 0.500000 Fe\n0.500036 0.499964 0.000000 Si\n0.500643 0.499357 0.500000 Si\n0.371600 0.101190 0.249977 Si\n0.628815 0.898985 0.249469 Si\n0.101015 0.371185 0.750531 Si\n0.898810 0.628400 0.750023 Si\n0.112500 0.729611 0.249471 Si\n0.887150 0.270649 0.250020 Si\n0.729351 0.112850 0.749980 Si\n0.270389 0.887500 0.750529 Si\n0.936297 0.693333 0.249565 O\n0.063408 0.306757 0.250014 O\n0.693243 0.936592 0.749986 O\n0.306667 0.063703 0.750435 O\n0.349728 0.856500 0.891736 O\n0.650241 0.143453 0.891592 O\n0.856547 0.349759 0.108408 O\n0.143500 0.650272 0.108264 O\n0.650476 0.143694 0.608440 O\n0.349946 0.859599 0.608507 O\n0.140401 0.650054 0.391493 O\n0.856306 0.349524 0.391560 O\n0.242432 0.914472 0.249926 O\n0.757769 0.085628 0.249917 O\n0.914372 0.242231 0.750083 O\n0.085528 0.757568 0.750074 O\n0.135779 0.482832 0.891982 O\n0.864191 0.517088 0.891966 O\n0.482912 0.135809 0.108034 O\n0.517168 0.864221 0.108018 O\n0.863966 0.517059 0.608235 O\n0.133837 0.481189 0.607960 O\n0.518811 0.866163 0.392040 O\n0.482941 0.136034 0.391765 O\n0.293005 0.205272 0.249892 O\n0.706879 0.794493 0.250040 O\n0.205507 0.293121 0.749960 O\n0.794728 0.706995 0.750108 O\n0.478143 0.353749 0.901206 O\n0.521858 0.646309 0.901269 O\n0.353691 0.478142 0.098731 O\n0.646251 0.521857 0.098794 O\n0.524421 0.645845 0.599054 O\n0.478220 0.353350 0.599015 O\n0.646650 0.521780 0.400985 O\n0.354155 0.475579 0.400946 O\n",
"nsites": 58,
"nelements": 5,
"elements": [
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"Fe",
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"O"
],
"chemical_system": "Al-Fe-Mg-O-Si",
"density": 2.475500865959815,
"density_atomic": 0.07196773392353356,
"volume": 805.9167190344715,
"volume_molar": 8.367834349763722,
"formula_full": "Mg3 Al8 Fe1 Si10 O36",
"formula_reduced": "Mg3Al8Fe(Si5O18)2",
"formula_anonymous": "AB3C8D10E36",
"energy": -465.59162594,
"energy_per_atom": -8.027441826551724,
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"energy_uncorrected": -438.60362594,
"band_gap": 3.9981,
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"total_magnetization": 3.9999946,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.848000Z",
"spacegroup": 5
},
{
"id": "mp-1222247",
"created_at": "2022-09-04T14:41:45.105305Z",
"structure_string": "Mg9 Al8 Fe3 Si12 O48\n1.0\n5.796768 8.195015 0.000000\n-5.796768 8.195015 0.000000\n0.000000 8.167044 8.201661\nMg Al Fe Si O\n9 8 3 12 48\ndirect\n0.374876 0.625124 0.500000 Mg\n0.750831 0.749935 0.124542 Mg\n0.250065 0.249169 0.875458 Mg\n0.874811 0.374920 0.625157 Mg\n0.625080 0.125189 0.374843 Mg\n0.874713 0.125287 0.500000 Mg\n0.625276 0.374724 0.000000 Mg\n0.250082 0.249974 0.375115 Mg\n0.750026 0.749918 0.624885 Mg\n0.999857 0.499655 0.750134 Al\n0.500345 0.000143 0.249866 Al\n0.500582 0.000597 0.749201 Al\n0.999403 0.499418 0.250799 Al\n0.500502 0.499754 0.749620 Al\n0.999321 0.000206 0.250346 Al\n0.500246 0.499498 0.250380 Al\n0.999794 0.000679 0.749654 Al\n0.124935 0.625145 0.875009 Fe\n0.374855 0.875065 0.124991 Fe\n0.125110 0.874890 0.000000 Fe\n0.376772 0.876302 0.623187 Si\n0.123698 0.623228 0.376813 Si\n0.873879 0.126121 0.000000 Si\n0.625117 0.374883 0.500000 Si\n0.750007 0.750060 0.874398 Si\n0.249940 0.249993 0.125602 Si\n0.626265 0.126264 0.873674 Si\n0.873736 0.373735 0.126326 Si\n0.124304 0.875696 0.500000 Si\n0.376665 0.623335 0.000000 Si\n0.250001 0.250582 0.624453 Si\n0.749418 0.749999 0.375547 Si\n0.685562 0.121151 0.146877 O\n0.878849 0.314438 0.853123 O\n0.813604 0.379159 0.453878 O\n0.620841 0.186396 0.546122 O\n0.796952 0.603468 0.832298 O\n0.703298 0.896697 0.732601 O\n0.103303 0.296702 0.267399 O\n0.396532 0.203048 0.167702 O\n0.518038 0.917595 0.628970 O\n0.418220 0.018097 0.435052 O\n0.082405 0.481962 0.371030 O\n0.981903 0.581780 0.564948 O\n0.313790 0.880016 0.354284 O\n0.119984 0.686210 0.645716 O\n0.187673 0.617121 0.048122 O\n0.382879 0.812327 0.951878 O\n0.202846 0.396476 0.667807 O\n0.298252 0.104534 0.765853 O\n0.895466 0.701748 0.234147 O\n0.603524 0.797154 0.332193 O\n0.484354 0.085756 0.867509 O\n0.585039 0.984612 0.062316 O\n0.914244 0.515646 0.132491 O\n0.015388 0.414961 0.937684 O\n0.201824 0.104005 0.130115 O\n0.298288 0.395341 0.935964 O\n0.895995 0.798176 0.869885 O\n0.604659 0.701712 0.064036 O\n0.482951 0.417813 0.646308 O\n0.582187 0.517049 0.353692 O\n0.914900 0.984430 0.952981 O\n0.015570 0.085100 0.047019 O\n0.312312 0.617587 0.335640 O\n0.117192 0.812140 0.235836 O\n0.187860 0.882808 0.764164 O\n0.382413 0.687688 0.664360 O\n0.796318 0.896778 0.370594 O\n0.703348 0.603527 0.564032 O\n0.103222 0.203682 0.629406 O\n0.396473 0.296652 0.435968 O\n0.517937 0.581799 0.853153 O\n0.418201 0.482063 0.146847 O\n0.082394 0.017420 0.546800 O\n0.982580 0.917606 0.453200 O\n0.685436 0.378736 0.167759 O\n0.878806 0.185588 0.268178 O\n0.814412 0.121194 0.731822 O\n0.621264 0.314564 0.832241 O\n",
"nsites": 80,
"nelements": 5,
"elements": [
"Mg",
"Al",
"Fe",
"Si",
"O"
],
"chemical_system": "Al-Fe-Mg-O-Si",
"density": 3.637877615754161,
"density_atomic": 0.10266502202376142,
"volume": 779.2332619524916,
"volume_molar": 5.865815485439821,
"formula_full": "Mg9 Al8 Fe3 Si12 O48",
"formula_reduced": "Mg9Al8Fe3(SiO4)12",
"formula_anonymous": "A3B8C9D12E48",
"energy": -623.57133501,
"energy_per_atom": -7.794641687625,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -583.82733501,
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"updated_at": "2021-11-28T01:35:38.724000Z",
"spacegroup": 5
},
{
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