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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=12152",
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"results": [
{
"id": "mp-1385353",
"created_at": "2022-09-04T14:39:28.761770Z",
"structure_string": "Mg8 Si6\n1.0\n-5.603223 0.000000 0.000000\n2.733840 7.026407 0.000000\n-0.008970 -3.660397 -6.696176\nMg Si\n8 6\ndirect\n0.815717 0.493897 0.683419 Mg\n0.504369 0.005230 0.951559 Mg\n0.117785 0.067421 0.554865 Mg\n0.625700 0.046798 0.587521 Mg\n0.422021 0.533747 0.284733 Mg\n0.491158 0.282379 0.119048 Mg\n0.904416 0.690975 0.969943 Mg\n0.147715 0.840289 0.323375 Mg\n0.682914 0.896341 0.352541 Si\n0.288466 0.431714 0.677660 Si\n0.028312 0.110456 0.904228 Si\n0.967038 0.232943 0.125439 Si\n0.926103 0.438297 0.377313 Si\n0.328113 0.679574 0.838241 Si\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Mg-Si",
"density": 2.286132609085723,
"density_atomic": 0.05310433395447125,
"volume": 263.6319666866142,
"volume_molar": 11.340205801588725,
"formula_full": "Mg8 Si6",
"formula_reduced": "Mg4Si3",
"formula_anonymous": "A3B4",
"energy": -7.154272510000001,
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"updated_at": "2021-11-28T01:34:44.396000Z",
"spacegroup": 1
},
{
"id": "mp-1180125",
"created_at": "2022-09-04T14:39:28.826644Z",
"structure_string": "Ni1 S1 O9\n1.0\n5.478905 0.000000 0.000000\n-0.453675 -5.903655 0.000000\n-2.448246 0.104774 -5.662091\nNi S O\n1 1 9\ndirect\n0.981914 0.018123 0.960594 Ni\n0.164820 0.529819 0.054769 S\n0.839233 0.351942 0.955431 O\n0.649845 0.860469 0.733995 O\n0.100432 0.731041 0.155294 O\n0.930384 0.030556 0.488982 O\n0.543848 0.685965 0.802612 O\n0.666410 0.435792 0.744948 O\n0.301279 0.370113 0.274062 O\n0.103062 0.003342 0.695539 O\n0.326774 0.178839 0.133774 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Ni",
"S",
"O"
],
"chemical_system": "Ni-O-S",
"density": 2.1284755375335296,
"density_atomic": 0.06006218120850646,
"volume": 183.14353189760774,
"volume_molar": 10.026510257917673,
"formula_full": "Ni1 S1 O9",
"formula_reduced": "NiSO9",
"formula_anonymous": "ABC9",
"energy": -56.612958670000005,
"energy_per_atom": -5.146632606363637,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -52.62295867,
"band_gap": 0.6071000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.995327,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.418000Z",
"spacegroup": 1
},
{
"id": "mp-752611",
"created_at": "2022-09-04T14:39:28.800237Z",
"structure_string": "Li1 Nb1 Te2 W1 O12\n1.0\n5.178316 0.000000 0.000000\n-0.001654 5.405235 0.000000\n-0.005664 -0.401463 7.481133\nLi Nb Te W O\n1 1 2 1 12\ndirect\n0.500698 0.930936 0.282951 Li\n0.505753 0.503219 0.506411 Nb\n0.004034 0.007341 0.495333 Te\n0.496310 0.505240 0.998649 Te\n0.995075 0.006649 0.991337 W\n0.303514 0.812799 0.056433 O\n0.698042 0.821236 0.539823 O\n0.202127 0.715519 0.440231 O\n0.796329 0.708878 0.943404 O\n0.601566 0.518442 0.241214 O\n0.388862 0.507222 0.754758 O\n0.200943 0.299711 0.050375 O\n0.816736 0.310096 0.548991 O\n0.307776 0.191269 0.433874 O\n0.698366 0.207700 0.946072 O\n0.880904 0.011400 0.245014 O\n0.101606 0.003481 0.747699 O\n",
"nsites": 17,
"nelements": 5,
"elements": [
"Li",
"Nb",
"Te",
"W",
"O"
],
"chemical_system": "Li-Nb-O-Te-W",
"density": 5.795951960478575,
"density_atomic": 0.08118549000144654,
"volume": 209.39702402112866,
"volume_molar": 7.417755019884341,
"formula_full": "Li1 Nb1 Te2 W1 O12",
"formula_reduced": "LiNbTe2WO12",
"formula_anonymous": "ABCD2E12",
"energy": -124.48434798,
"energy_per_atom": -7.322608704705882,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -111.80234798,
"band_gap": 1.5177,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0004162,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.013000Z",
"spacegroup": 1
},
{
"id": "mp-1244869",
"created_at": "2022-09-04T14:39:28.977078Z",
"structure_string": "Fe32 O48\n1.0\n10.651403 0.069823 0.080490\n0.078023 9.689935 0.214114\n0.042535 0.210053 9.522344\nFe O\n32 48\ndirect\n0.638700 0.999961 0.089960 Fe\n0.278182 0.004388 0.606982 Fe\n0.680653 0.820162 0.830422 Fe\n0.820935 0.059310 0.341807 Fe\n0.402211 0.277144 0.218506 Fe\n0.424186 0.344745 0.571023 Fe\n0.444357 0.125108 0.860614 Fe\n0.567255 0.582629 0.057064 Fe\n0.133075 0.476320 0.628084 Fe\n0.368345 0.443212 0.879336 Fe\n0.924891 0.022579 0.041870 Fe\n0.948174 0.008994 0.627967 Fe\n0.625671 0.493019 0.746733 Fe\n0.080877 0.216783 0.350057 Fe\n0.331719 0.561408 0.241530 Fe\n0.388333 0.802116 0.915766 Fe\n0.204709 0.084658 0.053339 Fe\n0.680513 0.522184 0.436567 Fe\n0.440338 0.734504 0.570144 Fe\n0.101864 0.356399 0.051544 Fe\n0.759938 0.729378 0.212504 Fe\n0.019951 0.532777 0.317302 Fe\n0.107287 0.731572 0.109464 Fe\n0.551895 0.050146 0.392045 Fe\n0.662031 0.262958 0.010832 Fe\n0.131257 0.803384 0.805691 Fe\n0.837888 0.461677 0.108681 Fe\n0.879156 0.348681 0.554819 Fe\n0.078542 0.912904 0.352672 Fe\n0.370740 0.850168 0.274079 Fe\n0.920640 0.556481 0.791585 Fe\n0.752325 0.821835 0.557701 Fe\n0.707406 0.375004 0.601477 O\n0.680909 0.741987 0.025975 O\n0.525680 0.537648 0.565553 O\n0.048202 0.161184 0.990826 O\n0.866575 0.510583 0.435700 O\n0.683153 0.152798 0.241148 O\n0.317993 0.813357 0.707638 O\n0.378580 0.153793 0.666282 O\n0.165186 0.527528 0.164272 O\n0.982668 0.389123 0.707987 O\n0.480981 0.227652 0.402076 O\n0.492199 0.176168 0.057463 O\n0.227076 0.706561 0.949683 O\n0.922090 0.169547 0.491003 O\n0.507794 0.331461 0.798038 O\n0.165258 0.055744 0.448728 O\n0.310254 0.997044 0.920696 O\n0.249125 0.312874 0.939312 O\n0.763619 0.636212 0.733073 O\n0.768187 0.102046 0.969690 O\n0.211267 0.913253 0.185309 O\n0.969326 0.350732 0.216262 O\n0.699483 0.007606 0.489218 O\n0.352000 0.685446 0.394718 O\n0.914312 0.635911 0.167065 O\n0.821697 0.910772 0.735460 O\n0.102117 0.394497 0.451564 O\n0.406717 0.930724 0.467353 O\n0.063778 0.649435 0.704388 O\n0.546633 0.945977 0.904754 O\n0.701551 0.454437 0.956166 O\n0.356520 0.411883 0.370891 O\n0.486248 0.610793 0.865572 O\n0.923316 0.888241 0.474015 O\n0.108423 0.978438 0.707369 O\n0.800285 0.921126 0.184920 O\n0.990267 0.062985 0.244780 O\n0.970296 0.475874 0.965144 O\n0.223531 0.221373 0.203568 O\n0.691271 0.721266 0.402717 O\n0.523828 0.939061 0.232432 O\n0.090384 0.720729 0.322346 O\n0.300515 0.455137 0.679630 O\n0.586630 0.806274 0.658438 O\n0.419612 0.715578 0.123652 O\n0.429192 0.446580 0.100577 O\n0.018037 0.857320 0.976595 O\n0.679136 0.520463 0.224578 O\n",
"nsites": 80,
"nelements": 2,
"elements": [
"Fe",
"O"
],
"chemical_system": "Fe-O",
"density": 4.319354363385391,
"density_atomic": 0.08144546678344461,
"volume": 982.2523359429204,
"volume_molar": 7.394077286108842,
"formula_full": "Fe32 O48",
"formula_reduced": "Fe2O3",
"formula_anonymous": "A2B3",
"energy": -621.94934568,
"energy_per_atom": -7.774366820999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -516.78134568,
"band_gap": 0.2201999999999999,
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"is_magnetic": true,
"total_magnetization": 158.0004045,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.511000Z",
"spacegroup": 1
},
{
"id": "mp-759999",
"created_at": "2022-09-04T14:39:28.855114Z",
"structure_string": "Mn12 O14 F10\n1.0\n4.608287 0.000000 0.000000\n0.111156 5.637582 0.000000\n0.115485 0.063069 15.301754\nMn O F\n12 14 10\ndirect\n0.026959 0.167272 0.412820 Mn\n0.996925 0.845161 0.241539 Mn\n0.006283 0.155884 0.074562 Mn\n0.016248 0.165510 0.748665 Mn\n0.039347 0.851357 0.582647 Mn\n0.048473 0.844499 0.911713 Mn\n0.485251 0.348142 0.589782 Mn\n0.485386 0.355184 0.924231 Mn\n0.507814 0.346228 0.257787 Mn\n0.500433 0.651624 0.086538 Mn\n0.494185 0.644141 0.422083 Mn\n0.485720 0.630302 0.750515 Mn\n0.218628 0.109682 0.301762 O\n0.221288 0.114130 0.638183 O\n0.234522 0.117206 0.967880 O\n0.217353 0.886995 0.132280 O\n0.231510 0.892567 0.471176 O\n0.238398 0.881864 0.802756 O\n0.283233 0.398728 0.482307 O\n0.277052 0.609025 0.644742 O\n0.279095 0.395569 0.813294 O\n0.276417 0.611191 0.976946 O\n0.720046 0.381601 0.026963 O\n0.714134 0.616233 0.196076 O\n0.726876 0.385945 0.364084 O\n0.718660 0.379669 0.694865 O\n0.255367 0.380055 0.151692 F\n0.236840 0.610415 0.312088 F\n0.760347 0.620456 0.534669 F\n0.740304 0.620119 0.857586 F\n0.751003 0.115700 0.179897 F\n0.760235 0.122824 0.526524 F\n0.749144 0.877177 0.357331 F\n0.774001 0.873145 0.011687 F\n0.764500 0.123379 0.860009 F\n0.758026 0.871022 0.692321 F\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.483004492709593,
"density_atomic": 0.09055843205909903,
"volume": 397.53338459422713,
"volume_molar": 6.650005552293475,
"formula_full": "Mn12 O14 F10",
"formula_reduced": "Mn6O7F5",
"formula_anonymous": "A5B6C7",
"energy": -277.77766063,
"energy_per_atom": -7.7160461286111115,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:38.714000Z",
"spacegroup": 1
},
{
"id": "mp-758885",
"created_at": "2022-09-04T14:39:28.925977Z",
"structure_string": "Li9 Cr4 B8 O24\n1.0\n6.038878 0.000000 0.000000\n0.097196 8.943362 0.000000\n0.165951 3.902249 8.616601\nLi Cr B O\n9 4 8 24\ndirect\n0.251372 0.146367 0.086087 Li\n0.219282 0.127538 0.573840 Li\n0.428928 0.302280 0.673207 Li\n0.761573 0.383228 0.486302 Li\n0.255019 0.603747 0.011076 Li\n0.774454 0.378893 0.997449 Li\n0.547589 0.705508 0.340852 Li\n0.792150 0.868331 0.426666 Li\n0.919171 0.724531 0.837060 Li\n0.533349 0.230358 0.282229 Cr\n0.967261 0.230075 0.780496 Cr\n0.046008 0.761336 0.223543 Cr\n0.465751 0.761656 0.720992 Cr\n0.716253 0.051532 0.080207 B\n0.784072 0.053254 0.576754 B\n0.336863 0.451165 0.313399 B\n0.841348 0.543852 0.189592 B\n0.153818 0.455853 0.803091 B\n0.673777 0.547320 0.687531 B\n0.223022 0.941025 0.424759 B\n0.277342 0.946104 0.918332 B\n0.598909 0.176476 0.098414 O\n0.287551 0.089692 0.308098 O\n0.728081 0.084689 0.422148 O\n0.901520 0.173405 0.598661 O\n0.242427 0.101353 0.797688 O\n0.768502 0.400998 0.190438 O\n0.779024 0.086249 0.926168 O\n0.334185 0.415048 0.184870 O\n0.431421 0.321916 0.442476 O\n0.963635 0.662858 0.071462 O\n0.714465 0.395999 0.685176 O\n0.818763 0.585599 0.316786 O\n0.156466 0.421492 0.672201 O\n0.282971 0.602432 0.307565 O\n0.061457 0.321412 0.929713 O\n0.592236 0.680637 0.560371 O\n0.685985 0.572801 0.822455 O\n0.203494 0.931021 0.067149 O\n0.214112 0.596825 0.811414 O\n0.762710 0.902371 0.198243 O\n0.103768 0.831724 0.388252 O\n0.265221 0.919279 0.573757 O\n0.734143 0.903671 0.687438 O\n0.372298 0.819681 0.897789 O\n",
"nsites": 45,
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"elements": [
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"B",
"O"
],
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"density": 2.6438174801436847,
"density_atomic": 0.09669843934158356,
"volume": 465.3642841229237,
"volume_molar": 6.2277538303663995,
"formula_full": "Li9 Cr4 B8 O24",
"formula_reduced": "Li9Cr4(BO3)8",
"formula_anonymous": "A4B8C9D24",
"energy": -340.55458993,
"energy_per_atom": -7.567879776222223,
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"updated_at": "2021-11-28T01:34:24.787000Z",
"spacegroup": 1
},
{
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"id": "mp-1175186",
"created_at": "2022-09-04T14:39:29.192930Z",
"structure_string": "Li7 Mn4 Co1 O12\n1.0\n5.251934 0.000000 0.000000\n1.996668 5.601345 0.000000\n1.987859 1.231944 7.386648\nLi Mn Co O\n7 4 1 12\ndirect\n0.009739 0.494434 0.995948 Li\n0.994822 0.836221 0.670293 Li\n0.503233 0.334031 0.165329 Li\n0.499806 0.665422 0.830397 Li\n0.995451 0.169766 0.333081 Li\n0.496672 0.000588 0.504094 Li\n0.500320 0.167898 0.831769 Li\n0.000550 0.000940 0.998268 Mn\n0.999363 0.334279 0.666334 Mn\n0.000091 0.665261 0.334750 Mn\n0.499652 0.835348 0.164913 Mn\n0.499677 0.496673 0.503650 Co\n0.226821 0.676135 0.083944 O\n0.218264 0.013244 0.756118 O\n0.720852 0.512775 0.261428 O\n0.762368 0.849174 0.937214 O\n0.222470 0.342255 0.422922 O\n0.756460 0.203342 0.586109 O\n0.781653 0.321780 0.909711 O\n0.773762 0.657005 0.583017 O\n0.237566 0.135555 0.079671 O\n0.244929 0.483278 0.725476 O\n0.777512 0.989723 0.243909 O\n0.277966 0.814871 0.411655 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 3.9680698492845456,
"density_atomic": 0.11044657567646002,
"volume": 217.2996297350596,
"volume_molar": 5.4525373223350435,
"formula_full": "Li7 Mn4 Co1 O12",
"formula_reduced": "Li7Mn4CoO12",
"formula_anonymous": "AB4C7D12",
"energy": -165.95634798,
"energy_per_atom": -6.9148478325000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -149.40234798,
"band_gap": 0.7385000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.0000292,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.148000Z",
"spacegroup": 1
}
]
}