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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density_atomic&page=119",
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"results": [
{
"id": "mp-1290640",
"created_at": "2022-09-04T14:45:14.757703Z",
"structure_string": "Li10 Mn4 Co2 O16\n1.0\n2.809296 0.176626 0.670798\n0.895888 7.745542 0.084630\n-2.942024 -0.134009 12.246359\nLi Mn Co O\n10 4 2 16\ndirect\n0.877302 0.246624 0.376318 Li\n0.372698 0.253378 0.873685 Li\n0.814120 0.375596 0.052962 Li\n0.313713 0.374938 0.552889 Li\n0.435886 0.124409 0.197038 Li\n0.936289 0.125065 0.697111 Li\n0.044852 0.888635 0.315668 Li\n0.545505 0.889267 0.812162 Li\n0.704501 0.610739 0.437838 Li\n0.205139 0.611372 0.934329 Li\n0.496381 0.003292 0.498394 Mn\n0.988300 0.008258 0.993427 Mn\n0.261733 0.491729 0.256576 Mn\n0.753618 0.496706 0.751604 Mn\n0.124988 0.750004 0.624998 Co\n0.625007 0.749998 0.125003 Co\n0.412721 0.166268 0.029281 O\n0.920981 0.162219 0.532773 O\n0.837302 0.333726 0.220721 O\n0.328982 0.337782 0.717224 O\n0.680802 0.664623 0.276898 O\n0.170438 0.670721 0.769371 O\n0.079532 0.829280 0.480625 O\n0.569222 0.835370 0.973105 O\n0.284381 0.442329 0.397155 O\n0.780443 0.448541 0.893356 O\n0.469535 0.051461 0.356644 O\n0.965634 0.057671 0.852847 O\n0.013271 0.927196 0.148963 O\n0.544378 0.917056 0.648935 O\n0.236743 0.572801 0.101040 O\n0.705603 0.582946 0.601062 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 3.9358232055987514,
"density_atomic": 0.11439591290743807,
"volume": 279.7302734573426,
"volume_molar": 5.264297129979403,
"formula_full": "Li10 Mn4 Co2 O16",
"formula_reduced": "Li5Mn2CoO8",
"formula_anonymous": "AB2C5D8",
"energy": -213.54718923,
"energy_per_atom": -6.6733496634375,
"energy_above_hull": null,
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"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -192.60718923,
"band_gap": 0.1474999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 16.0233357,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:57.939000Z",
"spacegroup": 2
},
{
"id": "mp-769012",
"created_at": "2022-09-04T14:40:40.399715Z",
"structure_string": "Li24 Mn7 Cr5 O36\n1.0\n5.013358 0.000000 0.000000\n-0.816810 9.712746 0.000000\n-2.416188 -1.841256 12.925845\nLi Mn Cr O\n24 7 5 36\ndirect\n0.167863 0.999538 0.833262 Li\n0.051656 0.000001 0.614351 Li\n0.999626 0.749544 0.250093 Li\n0.331448 0.750284 0.917170 Li\n0.047261 0.500000 0.112112 Li\n0.380504 0.498796 0.776579 Li\n0.165950 0.499999 0.333385 Li\n0.502340 0.500069 0.000366 Li\n0.287856 0.500624 0.556299 Li\n0.334179 0.250106 0.416038 Li\n0.500129 0.999859 0.500622 Li\n0.279683 0.998595 0.052460 Li\n0.614621 0.999894 0.718750 Li\n0.385258 0.999949 0.280598 Li\n0.718811 0.001267 0.947613 Li\n0.663946 0.750145 0.584079 Li\n0.712294 0.499613 0.443563 Li\n0.834212 0.500147 0.667193 Li\n0.619554 0.501123 0.222776 Li\n0.950662 0.500234 0.887985 Li\n0.667919 0.249731 0.082674 Li\n0.834370 0.000277 0.166729 Li\n0.999099 0.250029 0.748511 Li\n0.948545 0.999749 0.385658 Li\n0.223454 0.750030 0.694042 Mn\n0.444762 0.250728 0.640091 Mn\n0.554692 0.250029 0.861086 Mn\n0.444369 0.749782 0.139046 Mn\n0.553572 0.748589 0.359822 Mn\n0.777622 0.250397 0.305667 Mn\n0.891899 0.751363 0.028757 Mn\n0.104608 0.247980 0.969143 Cr\n0.103904 0.750471 0.472991 Cr\n0.228900 0.250854 0.193528 Cr\n0.772168 0.749865 0.807150 Cr\n0.893166 0.250016 0.526256 Cr\n0.003349 0.863141 0.931172 O\n0.069327 0.636432 0.784699 O\n0.999268 0.361821 0.428939 O\n0.148674 0.363036 0.644717 O\n0.264587 0.363754 0.883675 O\n0.336549 0.863153 0.597868 O\n0.068366 0.136111 0.284538 O\n0.186559 0.138405 0.525488 O\n0.408648 0.134324 0.950398 O\n0.143815 0.861358 0.143384 O\n0.265314 0.863865 0.382775 O\n0.480000 0.861248 0.808732 O\n0.331660 0.138560 0.738364 O\n0.190492 0.638332 0.023726 O\n0.402855 0.636308 0.450850 O\n0.518745 0.637205 0.688708 O\n0.331776 0.638449 0.237534 O\n0.670726 0.638963 0.904441 O\n0.327353 0.361502 0.096115 O\n0.668347 0.361657 0.762250 O\n0.481864 0.362884 0.311703 O\n0.600052 0.363531 0.549756 O\n0.802935 0.363122 0.975231 O\n0.666184 0.861214 0.261454 O\n0.521981 0.138568 0.191262 O\n0.734411 0.135385 0.618663 O\n0.857114 0.138448 0.857269 O\n0.597249 0.863400 0.048325 O\n0.811690 0.861536 0.474835 O\n0.932198 0.863705 0.715638 O\n0.664804 0.137237 0.402795 O\n0.735925 0.636378 0.118254 O\n0.851171 0.637489 0.355462 O\n0.003573 0.638639 0.570567 O\n0.929791 0.364079 0.215336 O\n0.001747 0.137082 0.068632 O\n",
"nsites": 72,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Cr",
"O"
],
"chemical_system": "Cr-Li-Mn-O",
"density": 3.65957001629661,
"density_atomic": 0.11439388319626569,
"volume": 629.4042827138715,
"volume_molar": 5.264390535346902,
"formula_full": "Li24 Mn7 Cr5 O36",
"formula_reduced": "Li24Mn7Cr5O36",
"formula_anonymous": "A5B7C24D36",
"energy": -495.54089891,
"energy_per_atom": -6.8825124848611114,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -449.13789891,
"band_gap": 1.127,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 31.0655837,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.526000Z",
"spacegroup": 1
},
{
"id": "mp-1143",
"created_at": "2022-09-04T14:47:28.577049Z",
"structure_string": "Al4 O6\n1.0\n4.586845 -2.402514 0.000000\n4.586845 2.402514 0.000000\n3.328448 0.000000 3.966441\nAl O\n4 6\ndirect\n0.147904 0.147904 0.147904 Al\n0.352096 0.352096 0.352096 Al\n0.647904 0.647904 0.647904 Al\n0.852096 0.852096 0.852096 Al\n0.556146 0.943854 0.250000 O\n0.750000 0.443854 0.056146 O\n0.250000 0.556146 0.943854 O\n0.943854 0.250000 0.556146 O\n0.056146 0.750000 0.443854 O\n0.443854 0.056146 0.750000 O\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Al",
"O"
],
"chemical_system": "Al-O",
"density": 3.8734983394693465,
"density_atomic": 0.11439025129224205,
"volume": 87.42003699644115,
"volume_molar": 5.264557680369763,
"formula_full": "Al4 O6",
"formula_reduced": "Al2O3",
"formula_anonymous": "A2B3",
"energy": -78.93557943,
"energy_per_atom": -7.893557943,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -74.81357943,
"band_gap": 5.853700000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:12.162000Z",
"spacegroup": 167
},
{
"id": "mp-1198299",
"created_at": "2022-09-04T14:48:03.173653Z",
"structure_string": "Co2 B20 H52 O16\n1.0\n0.000000 -6.675527 0.000000\n6.290136 -3.337764 -1.640856\n6.231485 -3.337764 17.112078\nCo B H O\n2 20 52 16\ndirect\n0.000000 0.000000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.312773 0.379970 0.654658 B\n0.347401 0.120030 0.845342 B\n0.687227 0.620030 0.345342 B\n0.652599 0.879970 0.154658 B\n0.104111 0.371021 0.721274 B\n0.196406 0.128979 0.778726 B\n0.895889 0.628979 0.278726 B\n0.803594 0.871021 0.221274 B\n0.303624 0.467975 0.735483 B\n0.507083 0.032025 0.764517 B\n0.696376 0.532025 0.264517 B\n0.492917 0.967975 0.235483 B\n0.541349 0.234174 0.701337 B\n0.476860 0.265826 0.798663 B\n0.458651 0.765826 0.298663 B\n0.523140 0.734174 0.201337 B\n0.167402 0.361705 0.812661 B\n0.341767 0.138295 0.687339 B\n0.832598 0.638295 0.187339 B\n0.658233 0.861705 0.312661 B\n0.342713 0.280373 0.943842 H\n0.566928 0.219627 0.556158 H\n0.657287 0.719627 0.056158 H\n0.433072 0.780373 0.443842 H\n0.259154 0.256706 0.029035 H\n0.544896 0.243294 0.470965 H\n0.740846 0.743294 0.970965 H\n0.455104 0.756706 0.529035 H\n0.125623 0.195728 0.584032 H\n0.905384 0.304272 0.915968 H\n0.874377 0.804272 0.415968 H\n0.094616 0.695728 0.084032 H\n0.893980 0.365652 0.557078 H\n0.816711 0.134348 0.942922 H\n0.106020 0.634348 0.442922 H\n0.183289 0.865652 0.057078 H\n0.065999 0.722872 0.627849 H\n0.416719 0.777128 0.872151 H\n0.934001 0.277128 0.372151 H\n0.583281 0.222872 0.127849 H\n0.864607 0.940294 0.646547 H\n0.451448 0.559706 0.853453 H\n0.135393 0.059706 0.353453 H\n0.548552 0.440294 0.146547 H\n0.032637 0.801461 0.910528 H\n0.744626 0.698539 0.589472 H\n0.967363 0.198539 0.089472 H\n0.255374 0.301461 0.410528 H\n0.818422 0.919075 0.867565 H\n0.605062 0.580925 0.632435 H\n0.181578 0.080925 0.132435 H\n0.394938 0.419075 0.367565 H\n0.302046 0.463117 0.592799 H\n0.357962 0.036883 0.907201 H\n0.697954 0.536883 0.407201 H\n0.642038 0.963117 0.092799 H\n0.909274 0.458385 0.710115 H\n0.077774 0.041615 0.789885 H\n0.090726 0.541615 0.289885 H\n0.922226 0.958385 0.210115 H\n0.284626 0.639695 0.736005 H\n0.660326 0.860305 0.763995 H\n0.715374 0.360305 0.263995 H\n0.339674 0.139695 0.236005 H\n0.730269 0.202724 0.672987 H\n0.605980 0.297276 0.827013 H\n0.269731 0.797276 0.327013 H\n0.394020 0.702724 0.172987 H\n0.023201 0.479738 0.854201 H\n0.357140 0.020262 0.645799 H\n0.976799 0.520262 0.145799 H\n0.642860 0.979738 0.354201 H\n0.330040 0.330762 0.991224 O\n0.652025 0.169238 0.508776 O\n0.669960 0.669238 0.008776 O\n0.347975 0.830762 0.491224 O\n0.026455 0.232945 0.545443 O\n0.804843 0.267054 0.954557 O\n0.973545 0.767054 0.454557 O\n0.195157 0.732946 0.045443 O\n0.943027 0.847897 0.606931 O\n0.397855 0.652103 0.893069 O\n0.056973 0.152103 0.393069 O\n0.602145 0.347897 0.106931 O\n0.866899 0.885208 0.916888 O\n0.668995 0.614792 0.583112 O\n0.133101 0.114792 0.083112 O\n0.331005 0.385208 0.416888 O\n",
"nsites": 90,
"nelements": 4,
"elements": [
"Co",
"B",
"H",
"O"
],
"chemical_system": "B-Co-H-O",
"density": 1.3559850406463947,
"density_atomic": 0.11438844623671526,
"volume": 786.7927484018285,
"volume_molar": 5.2646407553589745,
"formula_full": "Co2 B20 H52 O16",
"formula_reduced": "CoB10(H13O4)2",
"formula_anonymous": "AB8C10D26",
"energy": -465.69426302,
"energy_per_atom": -5.174380700222222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -451.42626302,
"band_gap": 2.7696,
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"is_magnetic": true,
"total_magnetization": 6.0009405,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:20.044000Z",
"spacegroup": 15
},
{
"id": "mp-768841",
"created_at": "2022-09-04T14:47:18.497102Z",
"structure_string": "Li24 Mn7 Cr5 O36\n1.0\n5.034742 0.000000 0.000000\n-0.876392 9.707408 0.000000\n-2.456671 -1.847392 12.879212\nLi Mn Cr O\n24 7 5 36\ndirect\n0.171021 0.999553 0.834340 Li\n0.051717 0.999623 0.612904 Li\n0.999102 0.749698 0.248518 Li\n0.332391 0.750051 0.916299 Li\n0.050953 0.499960 0.112690 Li\n0.379403 0.498705 0.779413 Li\n0.171758 0.498981 0.334308 Li\n0.502280 0.500412 0.000529 Li\n0.286709 0.500412 0.553829 Li\n0.334076 0.249623 0.416476 Li\n0.502047 0.000631 0.500259 Li\n0.282267 0.998348 0.052194 Li\n0.612611 0.000387 0.720149 Li\n0.382414 0.000539 0.280660 Li\n0.713036 0.999046 0.945636 Li\n0.664893 0.750120 0.581598 Li\n0.709534 0.498607 0.446109 Li\n0.835722 0.500227 0.666757 Li\n0.612640 0.500176 0.220283 Li\n0.951960 0.501864 0.887123 Li\n0.663272 0.250599 0.082034 Li\n0.837747 0.999001 0.167029 Li\n0.999561 0.249540 0.749953 Li\n0.948583 0.000750 0.386717 Li\n0.222262 0.749956 0.694674 Mn\n0.222880 0.251015 0.194872 Mn\n0.443007 0.250353 0.638620 Mn\n0.553997 0.248867 0.860327 Mn\n0.444039 0.750036 0.139045 Mn\n0.555218 0.749765 0.361203 Mn\n0.890218 0.750669 0.027936 Mn\n0.104001 0.250090 0.971361 Cr\n0.107090 0.749652 0.470171 Cr\n0.773636 0.749819 0.803586 Cr\n0.773115 0.249189 0.303285 Cr\n0.890555 0.250790 0.528058 Cr\n0.999498 0.862631 0.929522 O\n0.074153 0.634549 0.784408 O\n0.998919 0.362050 0.429573 O\n0.146337 0.362243 0.643571 O\n0.266535 0.363248 0.883551 O\n0.333660 0.861842 0.595760 O\n0.074500 0.134615 0.284482 O\n0.191766 0.137747 0.524140 O\n0.405415 0.135484 0.951706 O\n0.145610 0.861620 0.143483 O\n0.265177 0.863043 0.383396 O\n0.471403 0.862492 0.808985 O\n0.330491 0.138606 0.737805 O\n0.188923 0.638830 0.023850 O\n0.407777 0.634654 0.451152 O\n0.523099 0.638983 0.691455 O\n0.330890 0.638687 0.238108 O\n0.671057 0.638522 0.904948 O\n0.336640 0.363366 0.097191 O\n0.668555 0.361662 0.762142 O\n0.471432 0.362649 0.309514 O\n0.595774 0.364961 0.549163 O\n0.809573 0.361663 0.975682 O\n0.667740 0.861807 0.261908 O\n0.524009 0.139177 0.190824 O\n0.738416 0.137394 0.618424 O\n0.851913 0.138082 0.856071 O\n0.598548 0.863595 0.048479 O\n0.804986 0.862887 0.475772 O\n0.932026 0.863166 0.716929 O\n0.669170 0.137401 0.403340 O\n0.735587 0.636685 0.119117 O\n0.855787 0.638802 0.357961 O\n0.002185 0.638214 0.571077 O\n0.931824 0.363063 0.216709 O\n0.004909 0.138525 0.070858 O\n",
"nsites": 72,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Cr",
"O"
],
"chemical_system": "Cr-Li-Mn-O",
"density": 3.6592321125030005,
"density_atomic": 0.11438332071845395,
"volume": 629.4624036770418,
"volume_molar": 5.264876663987621,
"formula_full": "Li24 Mn7 Cr5 O36",
"formula_reduced": "Li24Mn7Cr5O36",
"formula_anonymous": "A5B7C24D36",
"energy": -495.47745974,
"energy_per_atom": -6.881631385277777,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -449.07445974,
"band_gap": 1.2372999999999998,
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"is_magnetic": true,
"total_magnetization": 31.0387503,
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"updated_at": "2021-11-28T01:38:00.674000Z",
"spacegroup": 1
},
{
"id": "mp-1174049",
"created_at": "2022-09-04T14:45:25.823330Z",
"structure_string": "Li10 Mn4 Co2 O16\n1.0\n-2.856464 4.024721 2.880585\n-2.739875 -4.136675 8.737794\n5.871608 0.013103 0.135187\nLi Mn Co O\n10 4 2 16\ndirect\n0.250080 0.750479 0.750664 Li\n0.749851 0.249527 0.249299 Li\n0.250035 0.250059 0.250075 Li\n0.750004 0.749933 0.749887 Li\n0.999969 0.999993 0.499944 Li\n0.500065 0.500019 0.000087 Li\n0.249909 0.749790 0.249832 Li\n0.750087 0.250238 0.750169 Li\n0.249870 0.250208 0.750192 Li\n0.750145 0.749764 0.249851 Li\n0.999904 0.000032 0.999910 Mn\n0.499992 0.499971 0.500066 Mn\n0.500011 0.999961 0.000077 Mn\n0.999836 0.500023 0.500008 Mn\n0.999977 0.500066 0.000084 Co\n0.499990 0.999930 0.499939 Co\n0.864162 0.885123 0.113059 O\n0.364378 0.384861 0.613337 O\n0.135939 0.114798 0.886785 O\n0.635653 0.615238 0.386766 O\n0.358729 0.879151 0.096066 O\n0.857834 0.379028 0.594730 O\n0.641547 0.120799 0.903841 O\n0.141946 0.620993 0.405366 O\n0.862860 0.894659 0.649724 O\n0.360671 0.394989 0.148178 O\n0.392406 0.894669 0.649613 O\n0.892445 0.394955 0.148259 O\n0.137319 0.105305 0.350242 O\n0.639176 0.605085 0.851858 O\n0.607769 0.105320 0.350110 O\n0.107442 0.605034 0.851982 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 3.935320294325146,
"density_atomic": 0.11438129563647587,
"volume": 279.7660213755726,
"volume_molar": 5.26496987684021,
"formula_full": "Li10 Mn4 Co2 O16",
"formula_reduced": "Li5Mn2CoO8",
"formula_anonymous": "AB2C5D8",
"energy": -213.91817832,
"energy_per_atom": -6.6849430725,
"energy_above_hull": null,
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"energy_uncorrected": -192.97817832,
"band_gap": 1.0362,
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"is_magnetic": true,
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}