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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume_molar&page=10369",
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"results": [
{
"id": "mp-677429",
"created_at": "2022-09-04T14:44:17.349584Z",
"structure_string": "K1 Mn4 O8\n1.0\n7.294491 -0.030402 5.985854\n1.813810 3.893784 1.651114\n0.525882 0.178456 5.550109\nK Mn O\n1 4 8\ndirect\n0.545602 0.613070 0.017178 K\n0.124348 0.797345 0.000953 Mn\n0.332013 0.204567 0.697502 Mn\n0.032583 0.138009 0.568703 Mn\n0.819300 0.679773 0.095569 Mn\n0.889483 0.237073 0.026775 O\n0.588274 0.885744 0.467119 O\n0.798157 0.020480 0.792497 O\n0.274896 0.072723 0.497377 O\n0.380618 0.431281 0.820635 O\n0.107705 0.634303 0.759491 O\n0.949276 0.575743 0.397460 O\n0.189192 0.983808 0.135394 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"K",
"Mn",
"O"
],
"chemical_system": "K-Mn-O",
"density": 4.416402474534217,
"density_atomic": 0.08937687134762105,
"volume": 145.45149996846496,
"volume_molar": 6.737918512024858,
"formula_full": "K1 Mn4 O8",
"formula_reduced": "KMn4O8",
"formula_anonymous": "AB4C8",
"energy": -97.57925427,
"energy_per_atom": -7.506096482307693,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:38.082000Z",
"spacegroup": 1
},
{
"id": "mp-1196495",
"created_at": "2022-09-04T14:41:31.266096Z",
"structure_string": "Zn4 Te4 H32 N16\n1.0\n11.609890 0.000000 0.000000\n0.000000 7.333749 0.000000\n0.000000 1.455317 7.358804\nZn Te H N\n4 4 32 16\ndirect\n0.263270 0.059620 0.900652 Zn\n0.763270 0.940380 0.099348 Zn\n0.329221 0.592067 0.673702 Zn\n0.829221 0.407933 0.326298 Zn\n0.255258 0.692038 0.966704 Te\n0.755258 0.307962 0.033296 Te\n0.376260 0.256763 0.628645 Te\n0.876260 0.743237 0.371355 Te\n0.293368 0.064872 0.246416 H\n0.793368 0.935128 0.753584 H\n0.281548 0.283408 0.135635 H\n0.781548 0.716592 0.864365 H\n0.470608 0.260109 0.022026 H\n0.970608 0.739891 0.977974 H\n0.463761 0.245042 0.245886 H\n0.963761 0.754958 0.754114 H\n0.038218 0.038699 0.888282 H\n0.538218 0.961301 0.111718 H\n0.069209 0.150583 0.055242 H\n0.569209 0.849417 0.944758 H\n0.978780 0.363596 0.861623 H\n0.478780 0.636404 0.138377 H\n0.115132 0.412779 0.807916 H\n0.615132 0.587221 0.192084 H\n0.449179 0.898092 0.565034 H\n0.949179 0.101908 0.434966 H\n0.488301 0.743289 0.436078 H\n0.988301 0.256711 0.563922 H\n0.568052 0.584607 0.743090 H\n0.068052 0.415393 0.256910 H\n0.643751 0.732157 0.593983 H\n0.143751 0.267843 0.406017 H\n0.133593 0.621294 0.483235 H\n0.633593 0.378706 0.516765 H\n0.240171 0.665174 0.336564 H\n0.740171 0.334826 0.663436 H\n0.183133 0.923621 0.554806 H\n0.683133 0.076379 0.445194 H\n0.108226 0.915198 0.369403 H\n0.608226 0.084802 0.630597 H\n0.321066 0.158022 0.132582 N\n0.821066 0.841978 0.867418 N\n0.444533 0.177078 0.142073 N\n0.944533 0.822922 0.857927 N\n0.087914 0.145155 0.921497 N\n0.587914 0.854845 0.078503 N\n0.051346 0.316674 0.803831 N\n0.551346 0.683326 0.196169 N\n0.470426 0.761539 0.567504 N\n0.970426 0.238461 0.432496 N\n0.572903 0.720819 0.678915 N\n0.072903 0.279181 0.321085 N\n0.210176 0.693068 0.458019 N\n0.710176 0.306932 0.541981 N\n0.188536 0.890490 0.428207 N\n0.688536 0.109510 0.571793 N\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Zn",
"Te",
"H",
"N"
],
"chemical_system": "H-N-Te-Zn",
"density": 2.725515361060264,
"density_atomic": 0.0893771792742469,
"volume": 626.5581489002732,
"volume_molar": 6.737895298218721,
"formula_full": "Zn4 Te4 H32 N16",
"formula_reduced": "ZnTe(H2N)4",
"formula_anonymous": "ABC4D8",
"energy": -274.19757592,
"energy_per_atom": -4.8963852842857145,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -268.42157592,
"band_gap": 2.7798,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0031241,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:32.001000Z",
"spacegroup": 4
},
{
"id": "mp-780096",
"created_at": "2022-09-04T14:40:20.747801Z",
"structure_string": "Li4 Mn8 B8 O24\n1.0\n-5.300626 0.000000 0.000000\n-0.015492 -9.110398 0.000000\n2.004055 1.867868 10.194278\nLi Mn B O\n4 8 8 24\ndirect\n0.990733 0.617188 0.167829 Li\n0.260475 0.134827 0.333718 Li\n0.739525 0.865173 0.666282 Li\n0.009267 0.382812 0.832171 Li\n0.972854 0.254768 0.126408 Mn\n0.476336 0.760205 0.124174 Mn\n0.772480 0.986693 0.372225 Mn\n0.276141 0.497493 0.376658 Mn\n0.723859 0.502507 0.623342 Mn\n0.227520 0.013307 0.627775 Mn\n0.523664 0.239795 0.875826 Mn\n0.027146 0.745232 0.873592 Mn\n0.992074 0.927936 0.130479 B\n0.486707 0.435784 0.125270 B\n0.763042 0.313119 0.375021 B\n0.258986 0.822478 0.369348 B\n0.741014 0.177522 0.630652 B\n0.236958 0.686881 0.624979 B\n0.513293 0.564216 0.874730 B\n0.007926 0.072064 0.869521 B\n0.571809 0.296601 0.072300 O\n0.637255 0.560141 0.136637 O\n0.134783 0.054442 0.145763 O\n0.999145 0.310933 0.332828 O\n0.763258 0.923898 0.174899 O\n0.252742 0.442089 0.171463 O\n0.081864 0.786980 0.079731 O\n0.616157 0.188300 0.364580 O\n0.668654 0.451218 0.424973 O\n0.483394 0.822087 0.319342 O\n0.823766 0.036299 0.576903 O\n0.112644 0.696132 0.355068 O\n0.887356 0.303868 0.644932 O\n0.176234 0.963701 0.423097 O\n0.516606 0.177913 0.680658 O\n0.331346 0.548782 0.575027 O\n0.383843 0.811700 0.635420 O\n0.918136 0.213020 0.920269 O\n0.747258 0.557911 0.828537 O\n0.236742 0.076102 0.825101 O\n0.000855 0.689067 0.667172 O\n0.865217 0.945558 0.854237 O\n0.362745 0.439859 0.863363 O\n0.428191 0.703399 0.927700 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Li",
"Mn",
"B",
"O"
],
"chemical_system": "B-Li-Mn-O",
"density": 3.163089361083107,
"density_atomic": 0.08937821791842217,
"volume": 492.2899675641323,
"volume_molar": 6.737816998652361,
"formula_full": "Li4 Mn8 B8 O24",
"formula_reduced": "LiMn2(BO3)2",
"formula_anonymous": "AB2C2D6",
"energy": -359.2702647,
"energy_per_atom": -8.165233288636363,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -329.4382647,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 36.0007255,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:58.569000Z",
"spacegroup": 2
},
{
"id": "mp-1204872",
"created_at": "2022-09-04T14:42:13.360301Z",
"structure_string": "Zr4 H32 Pb4 C24 O64\n1.0\n14.878754 0.000000 0.000000\n0.000000 9.756651 0.000000\n0.000000 2.704484 9.865291\nZr H Pb C O\n4 32 4 24 64\ndirect\n0.889112 0.684007 0.121708 Zr\n0.389112 0.815993 0.878292 Zr\n0.110888 0.315993 0.878292 Zr\n0.610888 0.184007 0.121708 Zr\n0.914825 0.323742 0.860666 H\n0.414825 0.176258 0.139334 H\n0.085175 0.676258 0.139334 H\n0.585175 0.823742 0.860666 H\n0.947594 0.385962 0.987271 H\n0.447594 0.114038 0.012729 H\n0.052406 0.614038 0.012729 H\n0.552406 0.885962 0.987271 H\n0.631444 0.071364 0.504608 H\n0.131444 0.428636 0.495392 H\n0.368556 0.928636 0.495392 H\n0.868556 0.571364 0.504608 H\n0.651203 0.146130 0.622117 H\n0.151203 0.353870 0.377883 H\n0.348797 0.853870 0.377883 H\n0.848797 0.646130 0.622117 H\n0.692831 0.664114 0.133469 H\n0.192831 0.835886 0.866531 H\n0.307169 0.335886 0.866531 H\n0.807169 0.164114 0.133469 H\n0.720938 0.554609 0.046891 H\n0.220938 0.945391 0.953109 H\n0.279062 0.445391 0.953109 H\n0.779062 0.054609 0.046891 H\n0.829567 0.223892 0.774064 H\n0.329567 0.276108 0.225936 H\n0.170433 0.776108 0.225936 H\n0.670433 0.723892 0.774064 H\n0.833649 0.394554 0.701224 H\n0.333649 0.105446 0.298776 H\n0.166351 0.605446 0.298776 H\n0.666351 0.894554 0.701224 H\n0.861865 0.065708 0.517749 Pb\n0.361865 0.434292 0.482251 Pb\n0.138135 0.934292 0.482251 Pb\n0.638135 0.565708 0.517749 Pb\n0.068132 0.125914 0.688610 C\n0.568132 0.374086 0.311390 C\n0.931868 0.874086 0.311390 C\n0.431868 0.625914 0.688610 C\n0.170670 0.151318 0.675740 C\n0.670670 0.348682 0.324260 C\n0.829330 0.848682 0.324260 C\n0.329330 0.651318 0.675740 C\n0.872780 0.796215 0.810128 C\n0.372780 0.703785 0.189872 C\n0.127220 0.203785 0.189872 C\n0.627220 0.296215 0.810128 C\n0.850957 0.928068 0.861403 C\n0.350957 0.571932 0.138597 C\n0.149043 0.071932 0.138597 C\n0.649043 0.428068 0.861403 C\n0.899403 0.354142 0.228123 C\n0.399403 0.145858 0.771877 C\n0.100597 0.645858 0.771877 C\n0.600597 0.854142 0.228123 C\n0.914983 0.409158 0.354904 C\n0.414983 0.090842 0.645096 C\n0.085017 0.590842 0.645096 C\n0.585017 0.909158 0.354904 C\n0.030212 0.060168 0.613151 O\n0.530212 0.439832 0.386849 O\n0.969788 0.939832 0.386849 O\n0.469788 0.560168 0.613151 O\n0.030551 0.176107 0.777909 O\n0.530551 0.323893 0.222091 O\n0.969449 0.823893 0.222091 O\n0.469449 0.676107 0.777909 O\n0.799448 0.770436 0.250911 O\n0.299448 0.729564 0.749089 O\n0.200552 0.229564 0.749089 O\n0.700552 0.270436 0.250911 O\n0.782459 0.900960 0.399915 O\n0.282459 0.599040 0.600085 O\n0.217541 0.099040 0.600085 O\n0.717541 0.400960 0.399915 O\n0.888156 0.682651 0.904305 O\n0.388156 0.817349 0.095695 O\n0.111844 0.317349 0.095695 O\n0.611844 0.182651 0.904305 O\n0.873601 0.806081 0.685430 O\n0.373601 0.693919 0.314570 O\n0.126399 0.193919 0.314570 O\n0.626399 0.306081 0.685430 O\n0.852040 0.904876 0.991607 O\n0.352040 0.595124 0.008393 O\n0.147960 0.095124 0.008393 O\n0.647960 0.404876 0.991607 O\n0.833445 0.043675 0.778362 O\n0.333445 0.456325 0.221638 O\n0.166555 0.956325 0.221638 O\n0.666555 0.543675 0.778362 O\n0.895055 0.453949 0.115949 O\n0.395055 0.046051 0.884051 O\n0.104945 0.546051 0.884051 O\n0.604945 0.953949 0.115949 O\n0.891172 0.224533 0.238528 O\n0.391172 0.275467 0.761472 O\n0.108828 0.775467 0.761472 O\n0.608828 0.724533 0.238528 O\n0.928073 0.326500 0.468103 O\n0.428073 0.173500 0.531897 O\n0.071927 0.673500 0.531897 O\n0.571927 0.826500 0.468103 O\n0.911529 0.546534 0.329593 O\n0.411529 0.953466 0.670407 O\n0.088471 0.453466 0.670407 O\n0.588471 0.046534 0.329593 O\n0.970426 0.334420 0.922367 O\n0.470426 0.165580 0.077633 O\n0.029574 0.665580 0.077633 O\n0.529574 0.834420 0.922367 O\n0.671431 0.069433 0.581840 O\n0.171431 0.430567 0.418160 O\n0.328569 0.930567 0.418160 O\n0.828569 0.569433 0.581840 O\n0.744151 0.623642 0.093630 O\n0.244151 0.876358 0.906370 O\n0.255849 0.376358 0.906370 O\n0.755849 0.123642 0.093630 O\n0.832283 0.320027 0.788779 O\n0.332283 0.179973 0.211221 O\n0.167717 0.679973 0.211221 O\n0.667717 0.820027 0.788779 O\n",
"nsites": 128,
"nelements": 5,
"elements": [
"Zr",
"H",
"Pb",
"C",
"O"
],
"chemical_system": "C-H-O-Pb-Zr",
"density": 2.9430138776500767,
"density_atomic": 0.08937843286919117,
"volume": 1432.1128251077416,
"volume_molar": 6.7378007945313145,
"formula_full": "Zr4 H32 Pb4 C24 O64",
"formula_reduced": "ZrH8Pb(C3O8)2",
"formula_anonymous": "ABC6D8E16",
"energy": -908.13840877,
"energy_per_atom": -7.094831318515625,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -864.17040877,
"band_gap": 2.9122000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004303,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:37.149000Z",
"spacegroup": 14
},
{
"id": "mp-1245037",
"created_at": "2022-09-04T14:41:59.886744Z",
"structure_string": "Al40 O60\n1.0\n10.233378 0.040138 0.213422\n0.043027 10.520293 0.318596\n0.208310 0.313953 10.406419\nAl O\n40 60\ndirect\n0.836178 0.504372 0.639751 Al\n0.755943 0.909258 0.329666 Al\n0.467325 0.812032 0.817385 Al\n0.043723 0.800315 0.112361 Al\n0.843070 0.576677 0.108773 Al\n0.319949 0.956797 0.642346 Al\n0.098054 0.608142 0.577095 Al\n0.979702 0.312991 0.559993 Al\n0.510879 0.242824 0.259866 Al\n0.729808 0.311596 0.026090 Al\n0.394490 0.518648 0.424940 Al\n0.266294 0.392365 0.707112 Al\n0.684841 0.261808 0.736945 Al\n0.671170 0.755390 0.532311 Al\n0.629979 0.023217 0.056636 Al\n0.975405 0.831293 0.528672 Al\n0.364589 0.105435 0.108303 Al\n0.914710 0.062003 0.766014 Al\n0.515040 0.493255 0.898507 Al\n0.448522 0.998082 0.356011 Al\n0.700505 0.931541 0.769522 Al\n0.220042 0.559584 0.885480 Al\n0.983100 0.473037 0.901357 Al\n0.156509 0.929771 0.282339 Al\n0.348385 0.726055 0.109126 Al\n0.423237 0.232442 0.545009 Al\n0.100780 0.210377 0.986939 Al\n0.556385 0.480114 0.195454 Al\n0.954345 0.744061 0.845085 Al\n0.956804 0.092268 0.438978 Al\n0.880803 0.070952 0.156422 Al\n0.568420 0.724167 0.291350 Al\n0.367483 0.737294 0.539344 Al\n0.435904 0.141895 0.814945 Al\n0.203568 0.934918 0.916615 Al\n0.647832 0.739326 0.013027 Al\n0.296370 0.425646 0.126129 Al\n0.163877 0.153863 0.707575 Al\n0.006676 0.348386 0.248720 Al\n0.900980 0.621164 0.348090 Al\n0.015970 0.953830 0.182318 O\n0.158563 0.418118 0.227635 O\n0.741359 0.101261 0.765174 O\n0.969478 0.119667 0.607708 O\n0.492173 0.152906 0.414072 O\n0.811535 0.334382 0.639922 O\n0.165058 0.532722 0.722749 O\n0.352063 0.899566 0.482383 O\n0.647177 0.326871 0.175965 O\n0.017183 0.704022 0.432766 O\n0.221011 0.079094 0.009733 O\n0.121670 0.308849 0.647136 O\n0.992069 0.255926 0.400610 O\n0.669472 0.602722 0.149427 O\n0.338153 0.829654 0.952381 O\n0.811106 0.879219 0.502907 O\n0.528346 0.075770 0.197465 O\n0.858234 0.428619 0.022073 O\n0.816714 0.701839 0.970876 O\n0.030966 0.745692 0.668653 O\n0.303461 0.014105 0.256807 O\n0.021890 0.151245 0.851926 O\n0.517085 0.796272 0.134609 O\n0.871341 0.897817 0.779448 O\n0.731977 0.607365 0.573537 O\n0.490107 0.114080 0.972051 O\n0.887775 0.542610 0.784213 O\n0.126172 0.378202 0.944611 O\n0.202177 0.793738 0.189054 O\n0.290115 0.232905 0.799401 O\n0.766379 0.145240 0.032956 O\n0.365428 0.392598 0.556003 O\n0.425021 0.610617 0.257677 O\n0.882924 0.473049 0.268515 O\n0.832294 0.068500 0.329314 O\n0.995794 0.213223 0.134616 O\n0.053960 0.854281 0.948949 O\n0.260302 0.620105 0.490629 O\n0.486657 0.398298 0.338942 O\n0.068460 0.958027 0.434984 O\n0.509625 0.665005 0.469486 O\n0.442078 0.987018 0.758374 O\n0.277543 0.587014 0.042090 O\n0.529447 0.227417 0.682523 O\n0.347462 0.775690 0.699890 O\n0.644911 0.361475 0.874525 O\n0.370096 0.477238 0.818588 O\n0.755685 0.935795 0.154004 O\n0.545993 0.662882 0.897025 O\n0.743830 0.722747 0.346249 O\n0.179612 0.983157 0.751135 O\n0.612385 0.826588 0.680815 O\n0.978626 0.487741 0.531373 O\n0.468851 0.450893 0.058966 O\n0.293637 0.122636 0.582128 O\n0.945135 0.684705 0.185033 O\n0.628193 0.899158 0.927506 O\n0.058023 0.620424 0.930145 O\n0.357532 0.261094 0.166059 O\n0.583293 0.885511 0.375090 O\n",
"nsites": 100,
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"elements": [
"Al",
"O"
],
"chemical_system": "Al-O",
"density": 3.026561506013793,
"density_atomic": 0.08937892852479538,
"volume": 1118.831940038956,
"volume_molar": 6.7377634296984725,
"formula_full": "Al40 O60",
"formula_reduced": "Al2O3",
"formula_anonymous": "A2B3",
"energy": -770.17427954,
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"energy_above_hull": null,
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"id": "mp-1247510",
"created_at": "2022-09-04T14:43:00.127198Z",
"structure_string": "Co10 Ge4 N12\n1.0\n5.917468 0.923274 1.509955\n-2.505241 3.998674 0.000000\n1.172277 0.734452 11.577497\nCo Ge N\n10 4 12\ndirect\n0.185662 0.726521 0.029937 Co\n0.814338 0.540858 0.470063 Co\n0.814338 0.273479 0.970063 Co\n0.185662 0.459142 0.529937 Co\n0.219063 0.045630 0.649184 Co\n0.780937 0.826568 0.850816 Co\n0.780937 0.954370 0.350816 Co\n0.219063 0.173432 0.149184 Co\n0.000000 0.403747 0.750000 Co\n0.000000 0.596253 0.250000 Co\n0.665381 0.922432 0.583334 Ge\n0.334619 0.257051 0.916666 Ge\n0.334619 0.077568 0.416666 Ge\n0.665381 0.742949 0.083334 Ge\n0.931516 0.091999 0.648626 N\n0.068484 0.160482 0.851374 N\n0.068484 0.908001 0.351374 N\n0.931516 0.839518 0.148626 N\n0.290985 0.699146 0.643253 N\n0.709015 0.408160 0.856747 N\n0.709015 0.300854 0.356747 N\n0.290985 0.591840 0.143253 N\n0.567630 0.268815 0.602683 N\n0.432370 0.701186 0.897317 N\n0.432370 0.731185 0.397317 N\n0.567630 0.298814 0.102683 N\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Co",
"Ge",
"N"
],
"chemical_system": "Co-Ge-N",
"density": 5.982742722640854,
"density_atomic": 0.08938708061291425,
"volume": 290.8697747115329,
"volume_molar": 6.737148946701307,
"formula_full": "Co10 Ge4 N12",
"formula_reduced": "Co5(GeN3)2",
"formula_anonymous": "A2B5C6",
"energy": -182.38821362,
"energy_per_atom": -7.0149312930769225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -178.05621362,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0400773,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:06.453000Z",
"spacegroup": 15
}
]
}