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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_uncorrected&page=73",
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"results": [
{
"id": "mp-1247588",
"created_at": "2022-09-04T14:43:05.695328Z",
"structure_string": "Sr4 Ca28 Mn24 Cr8 O84\n1.0\n10.996254 -0.053083 -0.115032\n-0.070716 15.514679 -0.003859\n-0.111427 -0.001126 10.990452\nSr Ca Mn Cr O\n4 28 24 8 84\ndirect\n0.000213 0.114537 0.503938 Sr\n0.509501 0.384950 0.986207 Sr\n0.238062 0.386667 0.246079 Sr\n0.228677 0.119931 0.238379 Sr\n0.995360 0.108129 0.004043 Ca\n0.008927 0.624367 0.509488 Ca\n0.014145 0.622398 0.991874 Ca\n0.545287 0.126198 0.479110 Ca\n0.546382 0.128934 0.986806 Ca\n0.530321 0.630079 0.511118 Ca\n0.532893 0.621781 0.974240 Ca\n0.502161 0.380779 0.515551 Ca\n0.517682 0.859892 0.986296 Ca\n0.494298 0.866994 0.510269 Ca\n0.963692 0.388221 0.006335 Ca\n0.957711 0.387989 0.500225 Ca\n0.956150 0.879762 0.999143 Ca\n0.968794 0.871622 0.508942 Ca\n0.232959 0.405351 0.760143 Ca\n0.226889 0.887789 0.271525 Ca\n0.218869 0.871663 0.737490 Ca\n0.752852 0.383080 0.250693 Ca\n0.734191 0.385368 0.749137 Ca\n0.763484 0.869433 0.256665 Ca\n0.739666 0.865622 0.750154 Ca\n0.222704 0.109704 0.741035 Ca\n0.236942 0.625918 0.260654 Ca\n0.267596 0.630349 0.737973 Ca\n0.776812 0.118011 0.251678 Ca\n0.781822 0.118014 0.753027 Ca\n0.781696 0.621470 0.252596 Ca\n0.772248 0.623286 0.756807 Ca\n0.001737 0.502230 0.251225 Mn\n0.995484 0.500467 0.754063 Mn\n0.507132 0.982541 0.233418 Mn\n0.507870 0.990574 0.736953 Mn\n0.507540 0.496456 0.245273 Mn\n0.496044 0.503131 0.746259 Mn\n0.251432 0.520755 0.007778 Mn\n0.236374 0.497952 0.510071 Mn\n0.742974 0.999602 0.996871 Mn\n0.744831 0.997407 0.497200 Mn\n0.752177 0.504122 0.999746 Mn\n0.744641 0.504789 0.501184 Mn\n0.258893 0.755721 0.974122 Mn\n0.249558 0.751816 0.498126 Mn\n0.756197 0.249568 0.003205 Mn\n0.750716 0.249954 0.502358 Mn\n0.753828 0.745979 0.000045 Mn\n0.753550 0.746267 0.505232 Mn\n0.997674 0.750558 0.261390 Mn\n0.997083 0.750026 0.748981 Mn\n0.515398 0.258010 0.257271 Mn\n0.516233 0.248220 0.748860 Mn\n0.520836 0.748619 0.263284 Mn\n0.503315 0.747483 0.748195 Mn\n0.994049 0.996449 0.252115 Cr\n0.994981 0.993564 0.754275 Cr\n0.238666 0.992149 0.012034 Cr\n0.239384 0.998227 0.516979 Cr\n0.266779 0.233326 0.940513 Cr\n0.269481 0.241256 0.459157 Cr\n0.982961 0.253720 0.265537 Cr\n0.988277 0.256681 0.768370 Cr\n0.099402 0.770265 0.607418 O\n0.590068 0.254927 0.095302 O\n0.587587 0.252790 0.587317 O\n0.596181 0.754071 0.108689 O\n0.603879 0.763049 0.604447 O\n0.395476 0.192841 0.359375 O\n0.394670 0.185145 0.854198 O\n0.406402 0.696228 0.359775 O\n0.409591 0.730226 0.897359 O\n0.905087 0.243023 0.416038 O\n0.920302 0.237008 0.923507 O\n0.893502 0.730523 0.406599 O\n0.897480 0.732872 0.900655 O\n0.152204 0.248559 0.332158 O\n0.172402 0.252707 0.806689 O\n0.158993 0.749563 0.335985 O\n0.144948 0.735269 0.847104 O\n0.660557 0.223751 0.353679 O\n0.661890 0.226241 0.855045 O\n0.658000 0.720991 0.355572 O\n0.649480 0.727552 0.855286 O\n0.357061 0.766743 0.643544 O\n0.853710 0.278002 0.148654 O\n0.858432 0.279145 0.650882 O\n0.865856 0.770097 0.140780 O\n0.853473 0.770634 0.646950 O\n0.359879 0.517533 0.158609 O\n0.353238 0.494438 0.639129 O\n0.352151 0.002535 0.161619 O\n0.349484 0.996415 0.669274 O\n0.859627 0.485606 0.144059 O\n0.855008 0.480203 0.645917 O\n0.845876 0.978170 0.139968 O\n0.845133 0.977342 0.643475 O\n0.144874 0.009898 0.364215 O\n0.149337 0.003098 0.860699 O\n0.149174 0.510525 0.357152 O\n0.147529 0.527308 0.859313 O\n0.629991 0.024019 0.344913 O\n0.630799 0.030691 0.847199 O\n0.624808 0.530852 0.362555 O\n0.640916 0.516204 0.857802 O\n0.387395 0.512884 0.898150 O\n0.879216 0.012842 0.388100 O\n0.884025 0.011647 0.894790 O\n0.891373 0.519729 0.388929 O\n0.892660 0.518466 0.896050 O\n0.110825 0.482712 0.103897 O\n0.096564 0.475090 0.616657 O\n0.099568 0.974241 0.108443 O\n0.101196 0.975211 0.612209 O\n0.614551 0.493807 0.109252 O\n0.602542 0.490064 0.609575 O\n0.589718 0.992177 0.081041 O\n0.589394 0.994452 0.582298 O\n0.002289 0.380679 0.285446 O\n0.015635 0.380815 0.801410 O\n0.998884 0.872084 0.290915 O\n0.003160 0.870096 0.793474 O\n0.472191 0.381519 0.297763 O\n0.489553 0.375060 0.759843 O\n0.477425 0.869537 0.293076 O\n0.518730 0.871969 0.780261 O\n0.487458 0.626404 0.719400 O\n0.993850 0.128512 0.217232 O\n0.000891 0.127773 0.730273 O\n0.005896 0.628401 0.215299 O\n0.985659 0.624888 0.715758 O\n0.218397 0.134829 0.016437 O\n0.238378 0.131414 0.537148 O\n0.225927 0.654606 0.054747 O\n0.229856 0.626232 0.523692 O\n0.753598 0.124116 0.038439 O\n0.754103 0.123878 0.539018 O\n0.748250 0.625510 0.037306 O\n0.746380 0.625621 0.545394 O\n0.280950 0.359562 0.499190 O\n0.290889 0.327526 0.024566 O\n0.283489 0.880722 0.473258 O\n0.295214 0.875887 0.988999 O\n0.738198 0.379370 0.464470 O\n0.748675 0.377309 0.966056 O\n0.743886 0.871566 0.464786 O\n0.739328 0.872403 0.965955 O\n",
"nsites": 148,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Mn",
"Cr",
"O"
],
"chemical_system": "Ca-Cr-Mn-O-Sr",
"density": 4.031044309934764,
"density_atomic": 0.07894311207434326,
"volume": 1874.7677423791406,
"volume_molar": 7.628456241158514,
"formula_full": "Sr4 Ca28 Mn24 Cr8 O84",
"formula_reduced": "SrCa7Mn6Cr2O21",
"formula_anonymous": "AB2C6D7E21",
"energy": -1151.13187198,
"energy_per_atom": -7.777918053918919,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1037.39987198,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 111.9999963,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:54.329000Z",
"spacegroup": 1
},
{
"id": "mp-559219",
"created_at": "2022-09-04T14:42:42.876463Z",
"structure_string": "Zr8 P32 O96\n1.0\n14.656855 6.846002 0.000000\n-14.656855 6.846002 0.000000\n0.000000 0.005291 8.817195\nZr P O\n8 32 96\ndirect\n0.914891 0.551172 0.750616 Zr\n0.448828 0.085109 0.749384 Zr\n0.932225 0.067775 0.750000 Zr\n0.430768 0.569232 0.750000 Zr\n0.067775 0.932225 0.250000 Zr\n0.551172 0.914891 0.250616 Zr\n0.569232 0.430768 0.250000 Zr\n0.085109 0.448828 0.249384 Zr\n0.868140 0.346665 0.504186 P\n0.183257 0.982053 0.634119 P\n0.151518 0.127625 0.525104 P\n0.367267 0.853057 0.527067 P\n0.325482 0.020783 0.128244 P\n0.349624 0.363411 0.489204 P\n0.853057 0.367267 0.027067 P\n0.674518 0.979217 0.871756 P\n0.176428 0.485432 0.863792 P\n0.979217 0.674518 0.371756 P\n0.020783 0.325482 0.628244 P\n0.653335 0.131860 0.995814 P\n0.982053 0.183257 0.134119 P\n0.017947 0.816743 0.865881 P\n0.131860 0.653335 0.495814 P\n0.872375 0.848482 0.974896 P\n0.816743 0.017947 0.365881 P\n0.650376 0.636589 0.510796 P\n0.146943 0.632733 0.972933 P\n0.332275 0.517646 0.368601 P\n0.514568 0.823572 0.636208 P\n0.636589 0.650376 0.010796 P\n0.346665 0.868140 0.004186 P\n0.127625 0.151518 0.025104 P\n0.632733 0.146943 0.472933 P\n0.363411 0.349624 0.989204 P\n0.517646 0.332275 0.868601 P\n0.667725 0.482354 0.631399 P\n0.848482 0.872375 0.474896 P\n0.823572 0.514568 0.136208 P\n0.482354 0.667725 0.131399 P\n0.485432 0.176428 0.363792 P\n0.085690 0.914310 0.750000 O\n0.848059 0.906099 0.631566 O\n0.585121 0.656505 0.593223 O\n0.299684 0.401086 0.378695 O\n0.586638 0.929153 0.737167 O\n0.082485 0.375698 0.484364 O\n0.240415 0.766438 0.552998 O\n0.399498 0.850106 0.367917 O\n0.796156 0.906465 0.359147 O\n0.504598 0.242201 0.792473 O\n0.414879 0.343495 0.406777 O\n0.148075 0.933623 0.479087 O\n0.280124 0.005147 0.707849 O\n0.951883 0.905373 0.412738 O\n0.958513 0.402577 0.080670 O\n0.905373 0.951883 0.912738 O\n0.933623 0.148075 0.979087 O\n0.066377 0.851925 0.020913 O\n0.298583 0.906258 0.118373 O\n0.906099 0.848059 0.131566 O\n0.906258 0.298583 0.618373 O\n0.253935 0.239615 0.048603 O\n0.397871 0.944115 0.870425 O\n0.402577 0.958513 0.580670 O\n0.944115 0.397871 0.370425 O\n0.597423 0.041487 0.419330 O\n0.598078 0.560327 0.375579 O\n0.093742 0.701417 0.381627 O\n0.701417 0.093742 0.881627 O\n0.624302 0.917515 0.015636 O\n0.242201 0.504598 0.292473 O\n0.093901 0.151941 0.868434 O\n0.048117 0.094627 0.587262 O\n0.070847 0.413362 0.762833 O\n0.151941 0.093901 0.368434 O\n0.600502 0.149894 0.632083 O\n0.402759 0.802887 0.640981 O\n0.602129 0.055885 0.129575 O\n0.560327 0.598078 0.875579 O\n0.847817 0.413738 0.582680 O\n0.197113 0.597241 0.859019 O\n0.557104 0.848889 0.476908 O\n0.769884 0.996477 0.809975 O\n0.343495 0.414879 0.906777 O\n0.850106 0.399498 0.867917 O\n0.719876 0.994853 0.292151 O\n0.495402 0.757799 0.207527 O\n0.093535 0.203844 0.140853 O\n0.760385 0.746065 0.451397 O\n0.239615 0.253935 0.548603 O\n0.203844 0.093535 0.640853 O\n0.373868 0.575145 0.517204 O\n0.504152 0.267388 0.275589 O\n0.571226 0.428774 0.750000 O\n0.994853 0.719876 0.792151 O\n0.005147 0.280124 0.207849 O\n0.230116 0.003523 0.190025 O\n0.929153 0.586638 0.237167 O\n0.003523 0.230116 0.690025 O\n0.375698 0.082485 0.984364 O\n0.041487 0.597423 0.919330 O\n0.802887 0.402759 0.140981 O\n0.233562 0.759585 0.947002 O\n0.442896 0.151111 0.523092 O\n0.575145 0.373868 0.017204 O\n0.152183 0.586262 0.417320 O\n0.598914 0.700316 0.121305 O\n0.759585 0.233562 0.447002 O\n0.996477 0.769884 0.309975 O\n0.428774 0.571226 0.250000 O\n0.055885 0.602129 0.629575 O\n0.851925 0.066377 0.520913 O\n0.766438 0.240415 0.052998 O\n0.732612 0.495848 0.224411 O\n0.656505 0.585121 0.093223 O\n0.626132 0.424855 0.482796 O\n0.424855 0.626132 0.982796 O\n0.495848 0.732612 0.724411 O\n0.413738 0.847817 0.082680 O\n0.151111 0.442896 0.023092 O\n0.746065 0.760385 0.951397 O\n0.586262 0.152183 0.917320 O\n0.413362 0.070847 0.262833 O\n0.700316 0.598914 0.621305 O\n0.267388 0.504152 0.775589 O\n0.149894 0.600502 0.132083 O\n0.401922 0.439673 0.624421 O\n0.597241 0.197113 0.359019 O\n0.094627 0.048117 0.087262 O\n0.906465 0.796156 0.859147 O\n0.757799 0.495402 0.707527 O\n0.401086 0.299684 0.878695 O\n0.914310 0.085690 0.250000 O\n0.439673 0.401922 0.124421 O\n0.848889 0.557104 0.976908 O\n0.917515 0.624302 0.515636 O\n",
"nsites": 136,
"nelements": 3,
"elements": [
"Zr",
"P",
"O"
],
"chemical_system": "O-P-Zr",
"density": 3.0564308294761444,
"density_atomic": 0.07686004845513242,
"volume": 1769.4498342580532,
"volume_molar": 7.835202918868137,
"formula_full": "Zr8 P32 O96",
"formula_reduced": "Zr(PO3)4",
"formula_anonymous": "AB4C12",
"energy": -1103.13404065,
"energy_per_atom": -8.111279710661766,
"energy_above_hull": null,
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"energy_uncorrected": -1037.18204065,
"band_gap": 4.1158,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.4000429,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:03.408000Z",
"spacegroup": 15
},
{
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"created_at": "2022-09-04T14:40:16.941129Z",
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"updated_at": "2021-11-28T01:36:07.868000Z",
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{
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{
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O\n0.307471 0.884131 0.113435 O\n0.307471 0.886566 0.770696 O\n0.307471 0.229304 0.115869 O\n0.760595 0.961112 0.765328 O\n0.760595 0.234672 0.195784 O\n0.760595 0.804216 0.038888 O\n0.239405 0.038888 0.234672 O\n0.239405 0.765328 0.804216 O\n0.239405 0.195784 0.961112 O\n0.536563 0.011079 0.781770 O\n0.536562 0.218230 0.229309 O\n0.536563 0.770691 0.988920 O\n0.463437 0.988921 0.218230 O\n0.463438 0.781770 0.770691 O\n0.463437 0.229309 0.011080 O\n0.364806 0.570093 0.675255 O\n0.364806 0.324748 0.894837 O\n0.364806 0.105164 0.429913 O\n0.635194 0.429907 0.324745 O\n0.635194 0.675252 0.105163 O\n0.635194 0.894836 0.570087 O\n0.254537 0.537802 0.913319 O\n0.254538 0.086683 0.624481 O\n0.254538 0.375517 0.462199 O\n0.745463 0.462198 0.086681 O\n0.745462 0.913317 0.375519 O\n0.745462 0.624483 0.537801 O\n0.276784 0.418098 0.109576 O\n0.276783 0.890419 0.308520 O\n0.276784 0.691479 0.581900 O\n0.723216 0.581902 0.890424 O\n0.723217 0.109581 0.691480 O\n0.723216 0.308521 0.418100 O\n0.252162 0.692879 0.132494 O\n0.252164 0.867504 0.560383 O\n0.252163 0.439615 0.307123 O\n0.747838 0.307121 0.867506 O\n0.747836 0.132496 0.439617 O\n0.747837 0.560385 0.692877 O\n0.179664 0.539644 0.098932 O\n0.179665 0.901064 0.440709 O\n0.179666 0.559289 0.460357 O\n0.820336 0.460356 0.901068 O\n0.820335 0.098936 0.559291 O\n0.820334 0.440711 0.539643 O\n0.414143 0.513828 0.074242 O\n0.414145 0.925753 0.439585 O\n0.414145 0.560413 0.486170 O\n0.585857 0.486172 0.925758 O\n0.585855 0.074247 0.560415 O\n0.585855 0.439587 0.513830 O\n0.029114 0.641999 0.091318 O\n0.029113 0.908679 0.550678 O\n0.029115 0.449316 0.358002 O\n0.970886 0.358001 0.908682 O\n0.970887 0.091321 0.449322 O\n0.970885 0.550684 0.641998 O\n0.040146 0.553705 0.864194 O\n0.040146 0.135810 0.689510 O\n0.040146 0.310490 0.446297 O\n0.959854 0.446295 0.135806 O\n0.959854 0.864190 0.310490 O\n0.959854 0.689510 0.553703 O\n0.392174 0.444253 0.705691 O\n0.392176 0.294310 0.738564 O\n0.392178 0.261437 0.555746 O\n0.607826 0.555747 0.294309 O\n0.607824 0.705690 0.261436 O\n0.607822 0.738563 0.444254 O\n0.924730 0.134664 0.869230 O\n0.924730 0.130770 0.265434 O\n0.924730 0.734566 0.865336 O\n0.075270 0.865336 0.130770 O\n0.075270 0.869230 0.734566 O\n0.075270 0.265434 0.134664 O\n0.808562 0.238595 0.008933 O\n0.808562 0.991067 0.229661 O\n0.808562 0.770338 0.761405 O\n0.191438 0.761405 0.991067 O\n0.191438 0.008933 0.770339 O\n0.191438 0.229662 0.238595 O\n0.446485 0.597588 0.823098 O\n0.446486 0.176904 0.774486 O\n0.446486 0.225514 0.402418 O\n0.553515 0.402412 0.176902 O\n0.553514 0.823096 0.225514 O\n0.553514 0.774486 0.597582 O\n",
"nsites": 180,
"nelements": 4,
"elements": [
"Ag",
"Sn",
"S",
"O"
],
"chemical_system": "Ag-O-S-Sn",
"density": 3.239771387457854,
"density_atomic": 0.06783665216084928,
"volume": 2653.432831166215,
"volume_molar": 8.877414448049034,
"formula_full": "Ag12 Sn6 S36 O126",
"formula_reduced": "Ag2Sn(S2O7)3",
"formula_anonymous": "AB2C6D21",
"energy": -1121.5633885900002,
"energy_per_atom": -6.23090771438889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1035.00138859,
"band_gap": 2.4704,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.003884,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:51.023000Z",
"spacegroup": 147
}
]
}