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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density_atomic&page=127",
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"results": [
{
"id": "mp-626689",
"created_at": "2022-09-04T14:46:11.283013Z",
"structure_string": "Fe1 H2 O2\n1.0\n1.650860 2.869588 0.000000\n-1.650860 2.869588 0.000000\n0.000000 0.430840 4.628226\nFe H O\n1 2 2\ndirect\n0.968842 0.031158 0.000000 Fe\n0.580509 0.830956 0.573000 H\n0.169044 0.419491 0.427000 H\n0.652737 0.729947 0.775646 O\n0.270053 0.347263 0.224354 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Fe",
"H",
"O"
],
"chemical_system": "Fe-H-O",
"density": 3.402825035822164,
"density_atomic": 0.11402383891448763,
"volume": 43.850479405010724,
"volume_molar": 5.2814751874091135,
"formula_full": "Fe1 H2 O2",
"formula_reduced": "Fe(HO)2",
"formula_anonymous": "AB2C2",
"energy": -31.88926438,
"energy_per_atom": -6.377852876,
"energy_above_hull": null,
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"energy_uncorrected": -28.25926438,
"band_gap": 2.4268,
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"is_magnetic": true,
"total_magnetization": 3.9999851,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:22.823000Z",
"spacegroup": 5
},
{
"id": "mp-781106",
"created_at": "2022-09-04T14:44:26.316481Z",
"structure_string": "Li32 Mn5 Cr11 O48\n1.0\n4.344119 2.520080 0.000000\n-4.344119 2.520080 0.000000\n0.000000 1.407878 38.454773\nLi Mn Cr O\n32 5 11 48\ndirect\n0.288318 0.091559 0.437421 Li\n0.376258 0.499754 0.187685 Li\n0.315189 0.436691 0.374972 Li\n0.253529 0.374204 0.562550 Li\n0.185298 0.312565 0.749926 Li\n0.124522 0.254385 0.937703 Li\n0.062710 0.187632 0.124975 Li\n0.341028 0.791910 0.312412 Li\n0.002230 0.121471 0.312473 Li\n0.208090 0.658972 0.687588 Li\n0.093502 0.537675 0.062266 Li\n0.936996 0.063004 0.500000 Li\n0.878529 0.997770 0.687527 Li\n0.961771 0.412317 0.437531 Li\n0.843695 0.288673 0.812226 Li\n0.157690 0.962768 0.812451 Li\n0.037232 0.842310 0.187549 Li\n0.711327 0.156305 0.187774 Li\n0.587683 0.038229 0.562469 Li\n0.908441 0.711682 0.562579 Li\n0.786959 0.588237 0.937646 Li\n0.812368 0.937290 0.875025 Li\n0.656645 0.460478 0.312549 Li\n0.539522 0.343355 0.687451 Li\n0.745615 0.875478 0.062297 Li\n0.411763 0.213041 0.062354 Li\n0.687435 0.814702 0.250074 Li\n0.625796 0.746471 0.437450 Li\n0.563309 0.684811 0.625028 Li\n0.500246 0.623742 0.812315 Li\n0.435702 0.564298 0.000000 Li\n0.462325 0.906498 0.937734 Li\n0.354601 0.145979 0.249981 Mn\n0.230444 0.019875 0.624907 Mn\n0.769700 0.230300 0.000000 Mn\n0.980125 0.769556 0.375093 Mn\n0.854021 0.645399 0.750019 Mn\n0.271408 0.728592 0.500000 Cr\n0.141645 0.608142 0.874954 Cr\n0.018774 0.484143 0.250036 Cr\n0.896493 0.350360 0.624939 Cr\n0.101891 0.898109 0.000000 Cr\n0.649640 0.103507 0.375061 Cr\n0.733682 0.516680 0.124969 Cr\n0.603216 0.396784 0.500000 Cr\n0.483320 0.266318 0.875031 Cr\n0.515857 0.981226 0.749964 Cr\n0.391858 0.858355 0.125046 Cr\n0.292805 0.061883 0.528021 O\n0.316700 0.086839 0.346952 O\n0.303333 0.428876 0.471184 O\n0.181040 0.305981 0.846520 O\n0.317076 0.443240 0.278380 O\n0.198434 0.319467 0.653596 O\n0.069529 0.197188 0.028505 O\n0.055142 0.178393 0.221451 O\n0.930908 0.054546 0.596427 O\n0.306274 0.792111 0.402917 O\n0.945454 0.069092 0.403573 O\n0.174300 0.657766 0.778116 O\n0.042726 0.532148 0.153398 O\n0.342234 0.825700 0.221884 O\n0.207889 0.693726 0.597083 O\n0.086941 0.565940 0.971875 O\n0.157005 0.917274 0.903427 O\n0.196026 0.961360 0.722123 O\n0.082726 0.842995 0.096573 O\n0.936590 0.417980 0.528127 O\n0.792895 0.281398 0.903316 O\n0.956621 0.442865 0.347138 O\n0.842962 0.327235 0.721768 O\n0.718602 0.207105 0.096684 O\n0.038640 0.803974 0.277877 O\n0.913161 0.683300 0.653048 O\n0.792852 0.557136 0.027835 O\n0.938117 0.707195 0.471979 O\n0.831984 0.593044 0.846671 O\n0.672765 0.157038 0.278232 O\n0.557135 0.043379 0.652862 O\n0.582020 0.063410 0.471873 O\n0.662950 0.434238 0.403264 O\n0.540300 0.302478 0.777906 O\n0.406956 0.168016 0.153329 O\n0.697522 0.459700 0.222094 O\n0.565762 0.337050 0.596736 O\n0.802812 0.930471 0.971495 O\n0.442864 0.207148 0.972165 O\n0.821607 0.944858 0.778549 O\n0.694019 0.818960 0.153480 O\n0.680533 0.801566 0.346404 O\n0.556760 0.682924 0.721620 O\n0.430835 0.555272 0.096505 O\n0.571124 0.696667 0.528816 O\n0.444728 0.569165 0.903495 O\n0.434060 0.913059 0.028125 O\n0.467852 0.957274 0.846602 O\n",
"nsites": 96,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Cr",
"O"
],
"chemical_system": "Cr-Li-Mn-O",
"density": 3.622415406084389,
"density_atomic": 0.11401840046843338,
"volume": 841.9693628887394,
"volume_molar": 5.281727103045323,
"formula_full": "Li32 Mn5 Cr11 O48",
"formula_reduced": "Li32Mn5Cr11O48",
"formula_anonymous": "A5B11C32D48",
"energy": -663.92253241,
"energy_per_atom": -6.915859712604167,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -600.61753241,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 37.0476812,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:37.571000Z",
"spacegroup": 5
},
{
"id": "mp-777959",
"created_at": "2022-09-04T14:42:11.708364Z",
"structure_string": "Li32 Mn3 Cr13 O48\n1.0\n-5.038531 0.000000 0.000000\n-0.045835 -8.692622 0.000000\n1.713495 2.731886 19.224708\nLi Mn Cr O\n32 3 13 48\ndirect\n0.989340 0.169163 0.250001 Li\n0.874895 0.375478 0.375144 Li\n0.751081 0.250588 0.000092 Li\n0.743333 0.920126 0.999667 Li\n0.993474 0.169434 0.748911 Li\n0.757593 0.580443 0.499995 Li\n0.873793 0.376360 0.875228 Li\n0.751673 0.249515 0.500180 Li\n0.742390 0.920696 0.499215 Li\n0.626617 0.125503 0.124676 Li\n0.757881 0.578870 0.999371 Li\n0.511325 0.331513 0.250424 Li\n0.624739 0.126652 0.625195 Li\n0.501875 0.000578 0.250597 Li\n0.489867 0.668695 0.249545 Li\n0.506920 0.330567 0.749349 Li\n0.373583 0.874338 0.374987 Li\n0.500160 0.000161 0.750013 Li\n0.248409 0.750124 0.999295 Li\n0.493353 0.669232 0.750523 Li\n0.240893 0.418928 0.999752 Li\n0.375768 0.874356 0.874742 Li\n0.254679 0.080113 0.500254 Li\n0.252201 0.748440 0.499972 Li\n0.122794 0.623926 0.125198 Li\n0.243668 0.421819 0.500953 Li\n0.007851 0.830913 0.250604 Li\n0.258141 0.079342 0.000378 Li\n0.127112 0.623132 0.624759 Li\n0.999129 0.500884 0.249743 Li\n0.006113 0.830760 0.751132 Li\n0.000135 0.499292 0.749955 Li\n0.874753 0.041711 0.374729 Mn\n0.871823 0.708966 0.873937 Mn\n0.128381 0.290714 0.625962 Mn\n0.873388 0.711952 0.375493 Cr\n0.880351 0.045596 0.875346 Cr\n0.628023 0.796869 0.125997 Cr\n0.620047 0.461112 0.125468 Cr\n0.621635 0.796124 0.623878 Cr\n0.629982 0.458901 0.625255 Cr\n0.381255 0.539330 0.375468 Cr\n0.367360 0.206320 0.374629 Cr\n0.370389 0.541631 0.874603 Cr\n0.379364 0.205079 0.876092 Cr\n0.122446 0.952628 0.124083 Cr\n0.129733 0.288529 0.124559 Cr\n0.120759 0.953960 0.624638 Cr\n0.963655 0.101922 0.068522 O\n0.936182 0.786983 0.068815 O\n0.926233 0.427028 0.068178 O\n0.966015 0.107867 0.569614 O\n0.813737 0.962883 0.181216 O\n0.823971 0.323351 0.181937 O\n0.934546 0.788789 0.568378 O\n0.926578 0.426511 0.568293 O\n0.786214 0.647920 0.181634 O\n0.713570 0.858003 0.319208 O\n0.814967 0.959491 0.681406 O\n0.827319 0.320052 0.682518 O\n0.669248 0.535935 0.318940 O\n0.679916 0.178073 0.317912 O\n0.779159 0.640623 0.680194 O\n0.711319 0.856035 0.819066 O\n0.468732 0.605800 0.069600 O\n0.582559 0.715659 0.431281 O\n0.574356 0.073928 0.431526 O\n0.680799 0.535380 0.818995 O\n0.682261 0.173043 0.817833 O\n0.433445 0.922837 0.067298 O\n0.418279 0.283875 0.068879 O\n0.532918 0.395248 0.431368 O\n0.465003 0.609614 0.568423 O\n0.572680 0.712370 0.930522 O\n0.568139 0.073667 0.932798 O\n0.316669 0.826740 0.182758 O\n0.331168 0.466241 0.181292 O\n0.432996 0.925865 0.566976 O\n0.427138 0.287290 0.569353 O\n0.534034 0.391002 0.931720 O\n0.281225 0.143836 0.180396 O\n0.218661 0.352145 0.318545 O\n0.316232 0.826930 0.682382 O\n0.320271 0.464396 0.681052 O\n0.172541 0.676576 0.318132 O\n0.174005 0.033322 0.318682 O\n0.288445 0.143296 0.680886 O\n0.220166 0.359723 0.819684 O\n0.076265 0.573041 0.432074 O\n0.070256 0.213857 0.430408 O\n0.172763 0.679433 0.817595 O\n0.183459 0.040313 0.818716 O\n0.038513 0.896842 0.431317 O\n0.072518 0.573147 0.931743 O\n0.067172 0.211899 0.931474 O\n0.033224 0.891852 0.930477 O\n",
"nsites": 96,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Cr",
"O"
],
"chemical_system": "Cr-Li-Mn-O",
"density": 3.610659893203431,
"density_atomic": 0.11401362428173556,
"volume": 842.0046341372093,
"volume_molar": 5.281948361819349,
"formula_full": "Li32 Mn3 Cr13 O48",
"formula_reduced": "Li32Mn3Cr13O48",
"formula_anonymous": "A3B13C32D48",
"energy": -665.9032588499999,
"energy_per_atom": -6.936492279687499,
"energy_above_hull": null,
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"energy_uncorrected": -601.93625885,
"band_gap": 0.9789,
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"is_magnetic": true,
"total_magnetization": 35.2304526,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:39.520000Z",
"spacegroup": 1
},
{
"id": "mp-752850",
"created_at": "2022-09-04T14:44:57.823756Z",
"structure_string": "Li4 Ni4 O8\n1.0\n2.926009 5.008338 0.000000\n-2.926009 5.008338 0.000000\n0.000000 3.411599 4.788149\nLi Ni O\n4 4 8\ndirect\n0.500000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n0.000000 0.000000 0.500000 Ni\n0.765559 0.765559 0.742886 O\n0.779370 0.244038 0.725040 O\n0.750342 0.750342 0.287057 O\n0.755962 0.220630 0.274960 O\n0.244038 0.779370 0.725040 O\n0.249658 0.249658 0.712943 O\n0.220630 0.755962 0.274960 O\n0.234441 0.234441 0.257114 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O",
"density": 4.6210394084065465,
"density_atomic": 0.11401265055144481,
"volume": 140.33530421942498,
"volume_molar": 5.281993472542495,
"formula_full": "Li4 Ni4 O8",
"formula_reduced": "LiNiO2",
"formula_anonymous": "ABC2",
"energy": -94.13976743,
"energy_per_atom": -5.883735464375,
"energy_above_hull": null,
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"energy_uncorrected": -78.47976743,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 4.0004891,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:45.796000Z",
"spacegroup": 12
},
{
"id": "mp-1177991",
"created_at": "2022-09-04T14:44:22.017644Z",
"structure_string": "Li32 Mn5 Cr11 O48\n1.0\n5.009278 0.000000 0.000000\n-2.483257 4.377438 0.000000\n-0.502781 -1.211600 38.399933\nLi Mn Cr O\n32 5 11 48\ndirect\n0.916515 0.091891 0.750224 Li\n0.002359 0.505315 0.999793 Li\n0.942406 0.442103 0.812541 Li\n0.873778 0.374596 0.625136 Li\n0.813675 0.308782 0.437444 Li\n0.746206 0.250339 0.250015 Li\n0.687340 0.187407 0.062479 Li\n0.966979 0.784395 0.874884 Li\n0.623544 0.124361 0.875010 Li\n0.841446 0.662851 0.499864 Li\n0.720791 0.538932 0.125014 Li\n0.560792 0.066149 0.687594 Li\n0.501772 0.001346 0.499916 Li\n0.587127 0.410966 0.749905 Li\n0.462046 0.285441 0.375056 Li\n0.785035 0.964444 0.375156 Li\n0.659215 0.835500 0.999949 Li\n0.338244 0.159662 0.999708 Li\n0.220875 0.039870 0.625140 Li\n0.531110 0.709411 0.625063 Li\n0.416811 0.592302 0.250228 Li\n0.437303 0.937409 0.312510 Li\n0.284970 0.465908 0.875081 Li\n0.155838 0.336620 0.500109 Li\n0.374101 0.875608 0.124985 Li\n0.030979 0.209245 0.124930 Li\n0.307729 0.809499 0.937455 Li\n0.246305 0.745943 0.750091 Li\n0.187411 0.687475 0.562469 Li\n0.127783 0.625638 0.375065 Li\n0.059750 0.565579 0.187524 Li\n0.087359 0.907504 0.249728 Li\n0.645894 0.479436 0.937479 Mn\n0.729873 0.895350 0.187500 Mn\n0.604434 0.770855 0.812510 Mn\n0.230140 0.395405 0.687522 Mn\n0.144269 0.979516 0.437464 Mn\n0.973426 0.140070 0.937363 Cr\n0.857789 0.015806 0.562598 Cr\n0.892988 0.734672 0.687454 Cr\n0.777595 0.609101 0.312763 Cr\n0.517149 0.358537 0.562435 Cr\n0.392507 0.234146 0.187449 Cr\n0.276131 0.110480 0.812634 Cr\n0.481238 0.640230 0.437602 Cr\n0.358014 0.516014 0.062575 Cr\n0.097774 0.265995 0.312242 Cr\n0.017303 0.858680 0.062410 Cr\n0.914381 0.052857 0.659660 O\n0.945469 0.084280 0.840571 O\n0.929263 0.429854 0.715986 O\n0.809911 0.299418 0.341412 O\n0.944810 0.450469 0.908439 O\n0.821340 0.320512 0.534047 O\n0.695659 0.193918 0.159088 O\n0.683834 0.181760 0.965888 O\n0.554570 0.055225 0.590924 O\n0.928596 0.786537 0.784408 O\n0.565227 0.067317 0.784098 O\n0.802049 0.664092 0.409580 O\n0.668986 0.530914 0.034190 O\n0.961070 0.812875 0.965754 O\n0.844041 0.707268 0.590821 O\n0.718754 0.578832 0.215827 O\n0.792963 0.942051 0.284318 O\n0.825672 0.968383 0.465875 O\n0.705906 0.843077 0.090878 O\n0.548997 0.406646 0.659090 O\n0.430276 0.287029 0.284589 O\n0.585791 0.444280 0.840332 O\n0.460504 0.322054 0.465314 O\n0.343869 0.207057 0.090834 O\n0.665991 0.806648 0.909695 O\n0.531211 0.667308 0.534157 O\n0.414882 0.552548 0.159679 O\n0.572334 0.710827 0.715348 O\n0.444844 0.587286 0.340398 O\n0.305664 0.164662 0.909468 O\n0.169547 0.031892 0.534117 O\n0.218715 0.078159 0.715791 O\n0.288481 0.435939 0.784431 O\n0.156250 0.296763 0.409194 O\n0.031004 0.167331 0.034229 O\n0.320065 0.462629 0.965461 O\n0.205862 0.343421 0.590846 O\n0.430085 0.930911 0.215919 O\n0.072163 0.210852 0.215369 O\n0.445203 0.945009 0.408996 O\n0.321685 0.820361 0.034154 O\n0.305010 0.799676 0.841558 O\n0.179873 0.681221 0.465888 O\n0.054264 0.554753 0.090931 O\n0.194729 0.693798 0.659072 O\n0.065226 0.575326 0.283546 O\n0.048735 0.906368 0.159127 O\n0.082117 0.932822 0.340635 O\n",
"nsites": 96,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Cr",
"O"
],
"chemical_system": "Cr-Li-Mn-O",
"density": 3.6221708939957553,
"density_atomic": 0.11401070425634395,
"volume": 842.0261994360782,
"volume_molar": 5.282083642304058,
"formula_full": "Li32 Mn5 Cr11 O48",
"formula_reduced": "Li32Mn5Cr11O48",
"formula_anonymous": "A5B11C32D48",
"energy": -664.04289335,
"energy_per_atom": -6.917113472395833,
"energy_above_hull": null,
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"band_gap": 0.0096000000000002,
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"updated_at": "2021-11-28T01:36:31.007000Z",
"spacegroup": 1
},
{
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"energy_uncorrected": -19.36323304,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:50.542000Z",
"spacegroup": 225
}
]
}