HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=11463",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=11461",
"results": [
{
"id": "mp-863857",
"created_at": "2022-09-04T14:46:54.739732Z",
"structure_string": "Mn3 Co3 Sb2 O16\n1.0\n-5.830813 0.000000 0.000000\n2.882145 5.083803 0.000000\n-0.017371 -0.088398 -9.274670\nMn Co Sb O\n3 3 2 16\ndirect\n0.337194 0.171277 0.212531 Mn\n0.170050 0.337485 0.714072 Mn\n0.170905 0.832082 0.713372 Mn\n0.833195 0.176218 0.215492 Co\n0.829028 0.669566 0.206904 Co\n0.667153 0.833920 0.709299 Co\n0.671935 0.334016 0.489668 Sb\n0.337122 0.671395 0.991991 Sb\n0.838002 0.166631 0.601539 O\n0.963865 0.466615 0.336298 O\n0.663047 0.316303 0.108746 O\n0.000383 0.016874 0.307131 O\n0.011803 0.007124 0.810602 O\n0.840449 0.671090 0.598016 O\n0.521542 0.037057 0.333574 O\n0.513688 0.471885 0.340329 O\n0.675825 0.845001 0.099407 O\n0.330520 0.162209 0.601464 O\n0.471138 0.509796 0.840932 O\n0.469569 0.960355 0.839576 O\n0.316639 0.655551 0.606494 O\n0.164185 0.329389 0.100789 O\n0.035835 0.519989 0.835394 O\n0.166928 0.837973 0.102097 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Mn",
"Co",
"Sb",
"O"
],
"chemical_system": "Co-Mn-O-Sb",
"density": 5.080341329590033,
"density_atomic": 0.08729612159368694,
"volume": 274.9263032750315,
"volume_molar": 6.89852040395287,
"formula_full": "Mn3 Co3 Sb2 O16",
"formula_reduced": "Mn3Co3(SbO8)2",
"formula_anonymous": "A2B3C3D16",
"energy": -173.64533176999998,
"energy_per_atom": -7.235222157083332,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -152.73533177,
"band_gap": 0.2557,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0014429,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:49.786000Z",
"spacegroup": 1
},
{
"id": "mp-1175043",
"created_at": "2022-09-04T14:46:54.753931Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n2.971986 0.000000 0.000000\n-1.221451 7.504126 0.000000\n-0.397091 -1.980558 9.661470\nLi Mn Co O\n7 2 3 12\ndirect\n0.094622 0.172114 0.752321 Li\n0.595289 0.175920 0.244862 Li\n0.747698 0.502988 0.752782 Li\n0.244841 0.487397 0.237941 Li\n0.410359 0.830826 0.751550 Li\n0.910410 0.832384 0.252797 Li\n0.657418 0.332491 0.008435 Li\n0.005016 0.006932 0.000446 Mn\n0.829190 0.667561 0.497961 Mn\n0.506395 0.001999 0.502198 Co\n0.163747 0.329640 0.500677 Co\n0.328916 0.651218 0.995544 Co\n0.517998 0.071657 0.890689 O\n0.083903 0.088320 0.387466 O\n0.225819 0.440961 0.883577 O\n0.702618 0.423453 0.383666 O\n0.904734 0.754852 0.889030 O\n0.406143 0.763602 0.383739 O\n0.630973 0.240788 0.617315 O\n0.109284 0.229186 0.119279 O\n0.250986 0.574666 0.616257 O\n0.774750 0.596774 0.113717 O\n0.925664 0.912264 0.615541 O\n0.473227 0.912007 0.102209 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.06331142282737,
"density_atomic": 0.11138357555462562,
"volume": 215.47162479291867,
"volume_molar": 5.406668559536925,
"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
"formula_anonymous": "A2B3C7D12",
"energy": -156.93115362,
"energy_per_atom": -6.5387980675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -140.43715362,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0002169,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:47.752000Z",
"spacegroup": 1
},
{
"id": "mp-1185676",
"created_at": "2022-09-04T14:46:54.758716Z",
"structure_string": "Mg16 Al12 I1\n1.0\n9.018326 0.000000 0.000000\n-2.774542 8.646857 0.000000\n-2.789608 -3.948542 7.749479\nMg Al I\n16 12 1\ndirect\n0.324286 0.318791 0.323948 Mg\n0.001284 0.999505 0.001429 Mg\n0.001704 0.655942 0.001800 Mg\n0.312756 0.708082 0.312630 Mg\n0.671426 0.986441 0.386151 Mg\n0.598901 0.599344 0.293130 Mg\n0.007941 0.407381 0.691060 Mg\n0.006207 0.012432 0.652450 Mg\n0.719174 0.322983 0.320187 Mg\n0.404185 0.680663 0.997841 Mg\n0.997299 0.681361 0.404284 Mg\n0.320432 0.323292 0.718977 Mg\n0.653240 0.013272 0.006513 Mg\n0.691401 0.408370 0.008604 Mg\n0.293844 0.599133 0.598905 Mg\n0.385201 0.986202 0.670560 Mg\n0.842007 0.187470 0.842877 Al\n0.637117 0.841098 0.636745 Al\n0.346643 0.976903 0.158174 Al\n0.194557 0.370292 0.006840 Al\n0.833951 0.661141 0.642436 Al\n0.179881 0.812891 0.810219 Al\n0.376697 0.184104 0.997259 Al\n0.996121 0.183165 0.376603 Al\n0.810035 0.812027 0.179809 Al\n0.641739 0.659244 0.833251 Al\n0.006485 0.369049 0.193377 Al\n0.158705 0.977411 0.347869 Al\n0.586785 0.262016 0.586076 I\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Mg",
"Al",
"I"
],
"chemical_system": "Al-I-Mg",
"density": 2.306989621525555,
"density_atomic": 0.047988954127772265,
"volume": 604.3057309143785,
"volume_molar": 12.54901439186576,
"formula_full": "Mg16 Al12 I1",
"formula_reduced": "Mg16Al12I",
"formula_anonymous": "AB12C16",
"energy": -71.98316829000001,
"energy_per_atom": -2.482178216896552,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.60416829,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009589,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:51.070000Z",
"spacegroup": 1
},
{
"id": "mp-758275",
"created_at": "2022-09-04T14:46:54.800784Z",
"structure_string": "Li12 Ni21 O36\n1.0\n-4.986261 0.015576 -0.013534\n-2.449910 13.069686 -0.006009\n0.804142 -1.460590 -9.535998\nLi Ni O\n12 21 36\ndirect\n0.782437 0.937567 0.002477 Li\n0.806872 0.641702 0.245204 Li\n0.725658 0.554567 0.493979 Li\n0.604546 0.780017 0.495879 Li\n0.447839 0.613049 0.005315 Li\n0.476164 0.308507 0.242379 Li\n0.141504 0.972755 0.255596 Li\n0.403450 0.215558 0.495615 Li\n0.052645 0.892692 0.493994 Li\n0.275147 0.443973 0.494639 Li\n0.234038 0.051436 0.005867 Li\n0.110528 0.286136 0.003432 Li\n0.995897 0.503796 0.005294 Ni\n0.972291 0.805651 0.751414 Ni\n0.906295 0.418871 0.251167 Ni\n0.691547 0.860487 0.248033 Ni\n0.830251 0.329842 0.495956 Ni\n0.856501 0.028465 0.749930 Ni\n0.750155 0.250050 0.750768 Ni\n0.666701 0.169742 0.003890 Ni\n0.640766 0.470500 0.750455 Ni\n0.527309 0.695516 0.749510 Ni\n0.413938 0.916521 0.751188 Ni\n0.328361 0.832343 0.002770 Ni\n0.586453 0.083472 0.248770 Ni\n0.362162 0.526500 0.251543 Ni\n0.239571 0.750961 0.249852 Ni\n0.489698 0.001360 0.496417 Ni\n0.156813 0.668101 0.496800 Ni\n0.303229 0.137218 0.751147 Ni\n0.194378 0.363076 0.750642 Ni\n0.078306 0.584027 0.749973 Ni\n0.031854 0.194056 0.249326 Ni\n0.931321 0.769987 0.362529 O\n0.788072 0.980693 0.357114 O\n0.845946 0.675661 0.637479 O\n0.950435 0.451313 0.617516 O\n0.714433 0.907528 0.635772 O\n0.777861 0.588790 0.861600 O\n0.822265 0.278873 0.132241 O\n0.482624 0.949614 0.132956 O\n0.677588 0.511565 0.143380 O\n0.901976 0.377686 0.868916 O\n0.982203 0.157351 0.858472 O\n0.627150 0.820230 0.857192 O\n0.893308 0.082401 0.137727 O\n0.542901 0.746922 0.143043 O\n0.601320 0.435037 0.364093 O\n0.733332 0.211246 0.365905 O\n0.398024 0.873697 0.367726 O\n0.455827 0.649859 0.359843 O\n0.524111 0.342750 0.637499 O\n0.593313 0.123566 0.633360 O\n0.284053 0.790349 0.622785 O\n0.386178 0.577877 0.638465 O\n0.445895 0.251962 0.861323 O\n0.115730 0.928623 0.869630 O\n0.153990 0.614588 0.135733 O\n0.348847 0.173929 0.139960 O\n0.551309 0.046230 0.882630 O\n0.010488 0.844731 0.142474 O\n0.238674 0.707515 0.865601 O\n0.292746 0.487342 0.855433 O\n0.211113 0.415397 0.143661 O\n0.283014 0.102477 0.359082 O\n0.069317 0.540382 0.369442 O\n0.121084 0.316776 0.362246 O\n0.201678 0.012350 0.642043 O\n0.057280 0.249095 0.642747 O\n",
"nsites": 69,
"nelements": 3,
"elements": [
"Li",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O",
"density": 5.056890471259273,
"density_atomic": 0.11107108625133355,
"volume": 621.2237795520035,
"volume_molar": 5.421879773799094,
"formula_full": "Li12 Ni21 O36",
"formula_reduced": "Li4Ni7O12",
"formula_anonymous": "A4B7C12",
"energy": -414.17593252,
"energy_per_atom": -6.002549746666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -336.08293252,
"band_gap": 0.0249000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 24.0009903,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:42.920000Z",
"spacegroup": 1
},
{
"id": "mp-1177602",
"created_at": "2022-09-04T14:46:54.802444Z",
"structure_string": "Li12 Mn4 V4 P12 O48\n1.0\n8.656112 0.000000 0.000000\n-4.189977 -7.603342 0.000000\n-3.995332 2.060314 -14.449974\nLi Mn V P O\n12 4 4 12 48\ndirect\n0.752993 0.697960 0.317509 Li\n0.715724 0.815403 0.549251 Li\n0.715561 0.314302 0.054159 Li\n0.256696 0.827573 0.189346 Li\n0.677753 0.786721 0.830022 Li\n0.680240 0.287718 0.331201 Li\n0.222048 0.729414 0.636249 Li\n0.225326 0.235237 0.134395 Li\n0.743177 0.183619 0.813756 Li\n0.244222 0.320819 0.688089 Li\n0.181294 0.637311 0.978141 Li\n0.179682 0.142784 0.479037 Li\n0.863089 0.718077 0.073927 Mn\n0.348272 0.965889 0.818044 Mn\n0.854435 0.218001 0.571668 Mn\n0.137457 0.276857 0.923633 Mn\n0.636983 0.526664 0.680523 V\n0.357284 0.468582 0.319673 V\n0.138562 0.784922 0.424251 V\n0.646037 0.028466 0.181034 V\n0.943053 0.988492 0.732078 P\n0.955133 0.489253 0.235168 P\n0.257379 0.977747 0.022943 P\n0.538008 0.897938 0.374596 P\n0.460825 0.599787 0.123797 P\n0.748233 0.519789 0.476769 P\n0.250964 0.479087 0.524071 P\n0.530524 0.392388 0.875607 P\n0.452074 0.096563 0.624496 P\n0.763912 0.023422 0.978635 P\n0.041237 0.516905 0.765973 P\n0.046157 0.015934 0.264919 P\n0.844935 0.976866 0.241159 O\n0.916502 0.541126 0.135333 O\n0.939724 0.601627 0.308065 O\n0.677174 0.983867 0.470193 O\n0.910012 0.700716 0.468342 O\n0.657093 0.650441 0.123722 O\n0.451133 0.767994 0.148875 O\n0.548687 0.730366 0.348869 O\n0.786045 0.793741 0.724559 O\n0.796404 0.295888 0.227616 O\n0.102265 0.793949 0.038080 O\n0.337829 0.843146 0.369657 O\n0.067931 0.903414 0.196234 O\n0.294367 0.991304 0.534395 O\n0.814863 0.874466 0.994255 O\n0.686590 0.563601 0.555088 O\n0.306280 0.500628 0.032849 O\n0.417530 0.972251 0.701409 O\n0.617688 0.957808 0.882391 O\n0.802896 0.373132 0.491436 O\n0.702046 0.069605 0.056373 O\n0.088497 0.972932 0.366145 O\n0.422065 0.474015 0.199466 O\n0.595676 0.446365 0.380771 O\n0.841527 0.482748 0.739564 O\n0.148153 0.512280 0.258722 O\n0.410786 0.555094 0.616478 O\n0.420933 0.056104 0.113680 O\n0.905202 0.041398 0.632088 O\n0.580561 0.524447 0.803715 O\n0.304562 0.924705 0.940598 O\n0.189359 0.619494 0.508780 O\n0.583277 0.029130 0.301898 O\n0.304923 0.432080 0.443130 O\n0.198596 0.119996 0.008248 O\n0.924281 0.099383 0.803655 O\n0.669169 0.474108 0.971579 O\n0.933857 0.207786 0.976162 O\n0.646534 0.148381 0.622252 O\n0.185648 0.713331 0.763712 O\n0.185482 0.211049 0.261997 O\n0.438843 0.263122 0.647165 O\n0.536182 0.221434 0.848608 O\n0.094815 0.293743 0.536637 O\n0.329612 0.343755 0.867512 O\n0.062060 0.408348 0.694213 O\n0.078912 0.468312 0.865313 O\n0.135991 0.013900 0.755048 O\n",
"nsites": 80,
"nelements": 5,
"elements": [
"Li",
"Mn",
"V",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P-V",
"density": 2.874799391126918,
"density_atomic": 0.08411927649304048,
"volume": 951.0305287352147,
"volume_molar": 7.159049638875861,
"formula_full": "Li12 Mn4 V4 P12 O48",
"formula_reduced": "Li3MnV(PO4)3",
"formula_anonymous": "ABC3D3E12",
"energy": -607.92929787,
"energy_per_atom": -7.599116223375001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -561.48129787,
"band_gap": 0.5108000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 24.0031522,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:48.976000Z",
"spacegroup": 1
},
{
"id": "mp-1247692",
"created_at": "2022-09-04T14:46:54.850176Z",
"structure_string": "Sr12 Ca20 Mn32 O88\n1.0\n10.931451 -0.034680 -0.083093\n-0.046609 15.706559 0.003508\n-0.081118 0.001648 10.902846\nSr Ca Mn O\n12 20 32 88\ndirect\n0.000422 0.115311 0.498518 Sr\n0.000414 0.115573 0.998198 Sr\n0.007737 0.626969 0.497542 Sr\n0.499392 0.387922 0.002027 Sr\n0.498340 0.387664 0.502500 Sr\n0.499416 0.862786 0.000923 Sr\n0.239729 0.389284 0.256274 Sr\n0.239247 0.388900 0.754970 Sr\n0.233659 0.871302 0.251973 Sr\n0.232334 0.113748 0.244564 Sr\n0.231159 0.114925 0.747404 Sr\n0.261234 0.628736 0.254182 Sr\n0.014627 0.626957 0.995836 Ca\n0.538953 0.127072 0.485767 Ca\n0.540314 0.126777 0.985978 Ca\n0.519381 0.625128 0.497132 Ca\n0.521148 0.625244 0.998305 Ca\n0.495776 0.855953 0.502037 Ca\n0.965081 0.387491 0.998597 Ca\n0.965599 0.388167 0.495738 Ca\n0.974036 0.871363 0.008891 Ca\n0.971943 0.871358 0.506431 Ca\n0.222843 0.870233 0.749947 Ca\n0.747795 0.394084 0.254500 Ca\n0.746812 0.393403 0.751645 Ca\n0.750130 0.859350 0.254706 Ca\n0.745729 0.859813 0.751371 Ca\n0.269896 0.628588 0.759197 Ca\n0.777291 0.116832 0.249915 Ca\n0.777943 0.117163 0.752486 Ca\n0.763635 0.625853 0.252482 Ca\n0.768430 0.625602 0.754616 Ca\n0.992261 0.991699 0.254124 Mn\n0.990860 0.990019 0.753784 Mn\n-0.000454 0.502455 0.246227 Mn\n0.001409 0.503078 0.749537 Mn\n0.514190 0.984158 0.235610 Mn\n0.510794 0.983248 0.731591 Mn\n0.499804 0.506316 0.250497 Mn\n0.499755 0.507027 0.750106 Mn\n0.241728 0.994302 0.007402 Mn\n0.243494 0.994209 0.513509 Mn\n0.249078 0.507058 0.002071 Mn\n0.248252 0.507955 0.505662 Mn\n0.747939 0.998179 0.996470 Mn\n0.743900 0.997628 0.496516 Mn\n0.749591 0.505131 0.001579 Mn\n0.747731 0.504540 0.502152 Mn\n0.262838 0.240800 0.963977 Mn\n0.263388 0.239059 0.464172 Mn\n0.250594 0.750663 0.999902 Mn\n0.250201 0.751990 0.507840 Mn\n0.752345 0.250905 0.005513 Mn\n0.751448 0.250247 0.506481 Mn\n0.752248 0.747062 0.000911 Mn\n0.748693 0.747652 0.501289 Mn\n0.985155 0.254959 0.259603 Mn\n0.985192 0.256253 0.759564 Mn\n0.000077 0.749063 0.249810 Mn\n0.001638 0.748501 0.752201 Mn\n0.527866 0.258136 0.257895 Mn\n0.527102 0.258597 0.758415 Mn\n0.501585 0.745916 0.253295 Mn\n0.500612 0.745412 0.752038 Mn\n0.107992 0.770703 0.104115 O\n0.107651 0.776004 0.608641 O\n0.585745 0.250375 0.098324 O\n0.584567 0.250340 0.598921 O\n0.617710 0.763331 0.118079 O\n0.611146 0.762003 0.611222 O\n0.404940 0.211442 0.358147 O\n0.405200 0.212483 0.860459 O\n0.397148 0.732102 0.398487 O\n0.397750 0.728041 0.894472 O\n0.898045 0.243423 0.415797 O\n0.899050 0.244048 0.915813 O\n0.884095 0.735156 0.385248 O\n0.892911 0.730519 0.892792 O\n0.147781 0.244177 0.333079 O\n0.147777 0.246258 0.831897 O\n0.140770 0.739715 0.361165 O\n0.148802 0.736984 0.851285 O\n0.655152 0.216927 0.354215 O\n0.655526 0.217278 0.853963 O\n0.641184 0.726658 0.361186 O\n0.643802 0.727224 0.859094 O\n0.362608 0.766373 0.142243 O\n0.357862 0.771390 0.649596 O\n0.847084 0.276226 0.150984 O\n0.847890 0.276723 0.650973 O\n0.863153 0.768473 0.137054 O\n0.861788 0.766759 0.639216 O\n0.361529 0.491734 0.138771 O\n0.360635 0.491127 0.640998 O\n0.361638 0.996241 0.152358 O\n0.352682 0.992948 0.665557 O\n0.860913 0.482699 0.136638 O\n0.861538 0.484428 0.637574 O\n0.849172 0.978360 0.143585 O\n0.845408 0.977549 0.644357 O\n0.139998 0.008252 0.369524 O\n0.137330 0.008000 0.866693 O\n0.139895 0.513124 0.360586 O\n0.145498 0.517232 0.854674 O\n0.626918 0.029635 0.347650 O\n0.623230 0.027865 0.846513 O\n0.638802 0.520183 0.361298 O\n0.641400 0.521101 0.859625 O\n0.390133 0.515286 0.391578 O\n0.392272 0.517469 0.891131 O\n0.879405 0.012873 0.388810 O\n0.879944 0.013076 0.887409 O\n0.884380 0.510090 0.385527 O\n0.891624 0.515798 0.892599 O\n0.107342 0.482084 0.104659 O\n0.106354 0.480019 0.607081 O\n0.100903 0.983122 0.120027 O\n0.098503 0.980106 0.619870 O\n0.616552 0.490324 0.116500 O\n0.615313 0.490898 0.616019 O\n0.598521 0.999151 0.087879 O\n0.586989 0.993685 0.579234 O\n0.004150 0.377238 0.277410 O\n0.002107 0.379348 0.782190 O\n0.993730 0.872003 0.287973 O\n0.997379 0.869808 0.791780 O\n0.499870 0.378206 0.267221 O\n0.500531 0.378913 0.767624 O\n0.512492 0.870455 0.288342 O\n0.520198 0.868487 0.777726 O\n0.496005 0.626885 0.214311 O\n0.489424 0.626895 0.712011 O\n0.993831 0.130877 0.226659 O\n0.993966 0.132235 0.725879 O\n0.993598 0.624376 0.216956 O\n0.992257 0.624781 0.723820 O\n0.249214 0.126556 0.018301 O\n0.253999 0.125399 0.521830 O\n0.235452 0.630690 0.025735 O\n0.240952 0.632368 0.538863 O\n0.754934 0.125707 0.035607 O\n0.751257 0.124295 0.539218 O\n0.746802 0.625449 0.036347 O\n0.748954 0.625622 0.535399 O\n0.269258 0.352183 0.504179 O\n0.268915 0.354862 0.001852 O\n0.282148 0.881199 0.475131 O\n0.273034 0.879868 0.963924 O\n0.740334 0.374547 0.470559 O\n0.741836 0.375919 0.967598 O\n0.744610 0.873769 0.467747 O\n0.747515 0.873418 0.965973 O\n",
"nsites": 152,
"nelements": 4,
"elements": [
"Sr",
"Ca",
"Mn",
"O"
],
"chemical_system": "Ca-Mn-O-Sr",
"density": 4.452389549635424,
"density_atomic": 0.0812032683003635,
"volume": 1871.845840462552,
"volume_molar": 7.416131008082889,
"formula_full": "Sr12 Ca20 Mn32 O88",
"formula_reduced": "Sr3Ca5Mn8O22",
"formula_anonymous": "A3B5C8D22",
"energy": -1167.81099099,
"energy_per_atom": -7.6829670459868415,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1053.97899099,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 112.0000797,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:40.668000Z",
"spacegroup": 1
},
{
"id": "mp-1073519",
"created_at": "2022-09-04T14:46:54.970113Z",
"structure_string": "Mg4 Si8\n1.0\n3.651853 0.000000 0.000000\n1.804364 5.142653 0.000000\n1.289859 0.820359 11.546427\nMg Si\n4 8\ndirect\n0.491453 0.618605 0.091102 Mg\n0.280713 0.179836 0.934465 Mg\n0.712915 0.781328 0.572935 Mg\n0.514579 0.321806 0.426648 Mg\n0.612093 0.659180 0.858024 Si\n0.142040 0.238882 0.223559 Si\n0.871259 0.679920 0.284423 Si\n0.354137 0.447054 0.719123 Si\n0.769317 0.057222 0.119845 Si\n0.013973 0.909907 0.769258 Si\n0.000679 0.236633 0.614288 Si\n0.236853 0.869705 0.386409 Si\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.465059167824239,
"density_atomic": 0.05533923143109544,
"volume": 216.84435597811952,
"volume_molar": 10.882226955931529,
"formula_full": "Mg4 Si8",
"formula_reduced": "MgSi2",
"formula_anonymous": "AB2",
"energy": -47.64460786,
"energy_per_atom": -3.9703839883333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.212607860000006,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.35e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:46.866000Z",
"spacegroup": 1
},
{
"id": "mp-1075649",
"created_at": "2022-09-04T14:46:55.067865Z",
"structure_string": "Mg10 Si18\n1.0\n6.741095 0.000000 0.000000\n-3.222983 -6.418848 0.000000\n-1.212756 0.456796 -12.561557\nMg Si\n10 18\ndirect\n0.604905 0.997431 0.708269 Mg\n0.745491 0.043038 0.412267 Mg\n0.201764 0.669334 0.533068 Mg\n0.744974 0.448139 0.344768 Mg\n0.772123 0.702693 0.573646 Mg\n0.341474 0.212593 0.490051 Mg\n0.544433 0.077425 0.087501 Mg\n0.353484 0.171905 0.865734 Mg\n0.989556 0.494551 0.102949 Mg\n0.011338 0.349605 0.868457 Mg\n0.268025 0.251109 0.168965 Si\n0.481934 0.622699 0.917005 Si\n0.003724 0.868244 0.352953 Si\n0.117935 0.265123 0.652198 Si\n0.129254 0.397940 0.299050 Si\n0.007796 0.748414 0.808172 Si\n0.402727 0.744170 0.238202 Si\n0.697570 0.417847 0.739369 Si\n0.755488 0.795809 0.186545 Si\n0.174083 0.958314 0.663040 Si\n0.827669 0.922694 0.886067 Si\n0.929448 0.067249 0.061758 Si\n0.369250 0.044839 0.293742 Si\n0.438280 0.563946 0.723354 Si\n0.239328 0.756449 0.963649 Si\n0.572367 0.473299 0.073894 Si\n0.811201 0.325560 0.575754 Si\n0.463930 0.609460 0.409303 Si\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.2869755737898894,
"density_atomic": 0.051514207007384676,
"volume": 543.5393773214084,
"volume_molar": 11.690252281543835,
"formula_full": "Mg10 Si18",
"formula_reduced": "Mg5Si9",
"formula_anonymous": "A5B9",
"energy": -109.40887143,
"energy_per_atom": -3.9074596939285717,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -110.68687143,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0037864,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:51.685000Z",
"spacegroup": 1
},
{
"id": "mp-1233876",
"created_at": "2022-09-04T14:46:55.251207Z",
"structure_string": "Mg1 Zn4 Sn4 O8\n1.0\n3.224194 -0.040261 0.640609\n1.550718 8.878895 -0.037950\n-0.391149 -0.468834 9.508906\nMg Zn Sn O\n1 4 4 8\ndirect\n0.980433 0.845897 0.837096 Mg\n0.639642 0.005926 0.287565 Zn\n0.467856 0.995761 0.646222 Zn\n0.388180 0.782264 0.071639 Zn\n0.633708 0.155485 0.933133 Zn\n0.865086 0.278781 0.552697 Sn\n0.989462 0.341043 0.194577 Sn\n0.097114 0.485044 0.826923 Sn\n0.225619 0.692133 0.433747 Sn\n0.078073 0.838971 0.624740 O\n0.089234 0.313260 0.969188 O\n0.969866 0.684570 0.980501 O\n0.470780 0.125223 0.476249 O\n0.845617 0.135978 0.723330 O\n0.580914 0.176817 0.160301 O\n0.205323 0.872154 0.271962 O\n0.405654 0.945969 0.914315 O\n",
"nsites": 17,
"nelements": 4,
"elements": [
"Mg",
"Zn",
"Sn",
"O"
],
"chemical_system": "Mg-O-Sn-Zn",
"density": 5.376319682938174,
"density_atomic": 0.06192877537834808,
"volume": 274.5088998795808,
"volume_molar": 9.724301382044604,
"formula_full": "Mg1 Zn4 Sn4 O8",
"formula_reduced": "MgZn4(SnO2)4",
"formula_anonymous": "AB4C4D8",
"energy": -89.70169474,
"energy_per_atom": -5.276570278823529,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -84.20569474,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:45.525000Z",
"spacegroup": 1
},
{
"id": "mp-1175562",
"created_at": "2022-09-04T14:46:55.288381Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.117764 0.000000 0.000000\n-0.052575 5.801062 0.000000\n-1.731133 -2.700649 9.539168\nLi Mn Co O\n9 2 5 16\ndirect\n0.499038 0.735143 0.005208 Li\n0.247304 0.372433 0.755712 Li\n0.505370 0.263553 0.003217 Li\n0.242966 0.885765 0.751357 Li\n0.754699 0.121596 0.247923 Li\n0.754192 0.620272 0.247615 Li\n0.000690 0.496066 0.493854 Li\n0.000390 0.995675 0.495150 Li\n0.000886 0.491217 0.998728 Li\n0.002683 0.000615 0.996985 Mn\n0.753053 0.627509 0.754805 Mn\n0.496175 0.256000 0.498285 Co\n0.236688 0.862372 0.243759 Co\n0.751344 0.133050 0.753639 Co\n0.498860 0.757919 0.499743 Co\n0.242796 0.373335 0.242462 Co\n0.347963 0.053124 0.113717 O\n0.094314 0.699719 0.873981 O\n0.378934 0.556140 0.136767 O\n0.096134 0.174659 0.874377 O\n0.615817 0.436026 0.385614 O\n0.602513 0.934925 0.377875 O\n0.853541 0.827919 0.637794 O\n0.861705 0.329773 0.641683 O\n0.633327 0.435573 0.861507 O\n0.405451 0.075434 0.626058 O\n0.653602 0.934421 0.870704 O\n0.402802 0.577844 0.628214 O\n0.902352 0.820703 0.123580 O\n0.888391 0.285163 0.116481 O\n0.142003 0.186629 0.370621 O\n0.134013 0.679430 0.372586 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.239259627901292,
"density_atomic": 0.112993046646086,
"volume": 283.20326736767794,
"volume_molar": 5.329656061812723,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -209.39754214,
"energy_per_atom": -6.543673191875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -186.87954214,
"band_gap": 1.3083999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0000637,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:49.596000Z",
"spacegroup": 1
},
{
"id": "mp-774800",
"created_at": "2022-09-04T14:46:55.301106Z",
"structure_string": "Li15 Zr7 Cu6 O28\n1.0\n5.401740 0.000000 0.000000\n0.420191 8.063922 0.000000\n2.088081 0.171684 12.965198\nLi Zr Cu O\n15 7 6 28\ndirect\n0.929645 0.852590 0.212845 Li\n0.499144 0.004455 0.501956 Li\n0.853901 0.656042 0.038913 Li\n0.421313 0.794540 0.323075 Li\n0.064414 0.195724 0.172953 Li\n0.222509 0.432233 0.355217 Li\n0.638643 0.290164 0.070725 Li\n0.952633 0.925637 0.607339 Li\n0.659108 0.348973 0.461103 Li\n0.785117 0.566928 0.646464 Li\n0.262907 0.504123 0.753349 Li\n0.999970 0.003265 0.997586 Li\n0.357736 0.707213 0.931026 Li\n0.073555 0.149785 0.784017 Li\n0.523152 0.067872 0.891476 Li\n0.473223 0.931197 0.105727 Zr\n0.755195 0.503657 0.244887 Zr\n0.335794 0.644536 0.538337 Zr\n0.896528 0.787716 0.824465 Zr\n0.022352 0.068585 0.393768 Zr\n0.169704 0.351088 0.964558 Zr\n0.601466 0.215085 0.677661 Zr\n0.290844 0.571369 0.142783 Cu\n0.872922 0.709057 0.428969 Cu\n0.423178 0.856977 0.716170 Cu\n0.556634 0.144395 0.284064 Cu\n0.138380 0.291062 0.568824 Cu\n0.718646 0.428793 0.858775 Cu\n0.179629 0.778137 0.079918 O\n0.636799 0.725023 0.181049 O\n0.739365 0.918486 0.363073 O\n0.075998 0.624665 0.276154 O\n0.170908 0.850681 0.462934 O\n0.303331 0.133875 0.033784 O\n0.561944 0.576631 0.395345 O\n0.731176 0.992899 0.748353 O\n0.940721 0.417323 0.104615 O\n0.117133 0.717728 0.679904 O\n0.032472 0.507450 0.501818 O\n0.205655 0.918647 0.847638 O\n0.616442 0.786517 0.580930 O\n0.432062 0.385728 0.213302 O\n0.757758 0.069832 0.146361 O\n0.484782 0.437444 0.608666 O\n0.861096 0.274637 0.319092 O\n0.260784 0.007880 0.252608 O\n0.695796 0.864534 0.966365 O\n0.604566 0.632876 0.795589 O\n0.045397 0.576051 0.895177 O\n0.329279 0.210142 0.425585 O\n0.286336 0.098478 0.637208 O\n0.464814 0.492115 0.006178 O\n0.917503 0.345181 0.704755 O\n0.798973 0.135999 0.532650 O\n0.386572 0.283857 0.820481 O\n0.864097 0.234122 0.923432 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Li",
"Zr",
"Cu",
"O"
],
"chemical_system": "Cu-Li-O-Zr",
"density": 4.621963612375607,
"density_atomic": 0.09915825571530558,
"volume": 564.7537826883749,
"volume_molar": 6.073262096592581,
"formula_full": "Li15 Zr7 Cu6 O28",
"formula_reduced": "Li15Zr7(Cu3O14)2",
"formula_anonymous": "A6B7C15D28",
"energy": -391.934481,
"energy_per_atom": -6.998830017857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -372.698481,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.2051339,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:46.522000Z",
"spacegroup": 1
},
{
"id": "mp-1247575",
"created_at": "2022-09-04T14:46:55.393532Z",
"structure_string": "Sr4 Ca28 Mn28 Cr4 O84\n1.0\n11.026934 -0.047171 -0.146259\n-0.062411 15.529763 -0.006773\n-0.141866 -0.003562 11.020106\nSr Ca Mn Cr O\n4 28 28 4 84\ndirect\n0.996582 0.110822 0.508736 Sr\n0.510620 0.384796 0.987286 Sr\n0.240079 0.387363 0.246646 Sr\n0.230798 0.119817 0.242173 Sr\n0.992631 0.111039 0.006427 Ca\n0.008324 0.623885 0.510150 Ca\n0.012143 0.621562 0.994139 Ca\n0.542462 0.125666 0.476686 Ca\n0.548555 0.128685 0.986242 Ca\n0.529214 0.629976 0.512393 Ca\n0.533201 0.621637 0.973634 Ca\n0.499165 0.380038 0.513989 Ca\n0.517777 0.859247 0.982646 Ca\n0.493311 0.867864 0.510237 Ca\n0.965450 0.388610 0.004126 Ca\n0.958323 0.389369 0.502408 Ca\n0.956114 0.879518 0.002186 Ca\n0.968074 0.872542 0.510557 Ca\n0.235103 0.406195 0.762324 Ca\n0.228390 0.887500 0.271881 Ca\n0.220626 0.871608 0.736898 Ca\n0.760709 0.384891 0.252033 Ca\n0.736681 0.384839 0.753450 Ca\n0.764458 0.868764 0.258535 Ca\n0.738911 0.866985 0.749625 Ca\n0.222362 0.107611 0.737714 Ca\n0.237586 0.625842 0.261295 Ca\n0.268327 0.630854 0.738429 Ca\n0.776576 0.113473 0.251300 Ca\n0.782485 0.122026 0.754567 Ca\n0.781308 0.621939 0.252378 Ca\n0.771486 0.623125 0.758178 Ca\n0.993876 0.991613 0.757527 Mn\n0.002116 0.502562 0.252566 Mn\n0.996526 0.501167 0.753561 Mn\n0.505454 0.981244 0.228652 Mn\n0.507755 0.993309 0.736070 Mn\n0.509191 0.495446 0.245193 Mn\n0.495710 0.502576 0.746701 Mn\n0.241716 0.999113 0.514652 Mn\n0.251528 0.520557 0.008384 Mn\n0.237537 0.497909 0.509806 Mn\n0.742960 0.999529 0.995312 Mn\n0.742984 0.997516 0.497107 Mn\n0.752701 0.504074 0.000720 Mn\n0.743771 0.504411 0.502706 Mn\n0.267356 0.245638 0.463554 Mn\n0.259642 0.755612 0.975267 Mn\n0.248565 0.751494 0.498639 Mn\n0.759739 0.249516 0.004433 Mn\n0.748526 0.250793 0.505795 Mn\n0.754127 0.746464 0.999899 Mn\n0.752527 0.745947 0.505598 Mn\n0.995435 0.256963 0.764117 Mn\n0.997953 0.750343 0.263115 Mn\n0.996759 0.749903 0.748953 Mn\n0.523586 0.257066 0.257351 Mn\n0.511553 0.248084 0.749957 Mn\n0.520328 0.748961 0.262520 Mn\n0.503936 0.747535 0.747984 Mn\n0.993748 0.995622 0.253355 Cr\n0.236488 0.991686 0.013108 Cr\n0.266427 0.231605 0.940140 Cr\n0.985173 0.253113 0.269061 Cr\n0.098315 0.771065 0.608106 O\n0.592948 0.256249 0.101158 O\n0.576009 0.251084 0.587495 O\n0.596711 0.754363 0.108276 O\n0.603103 0.762333 0.602057 O\n0.403806 0.200814 0.350535 O\n0.394513 0.181985 0.857308 O\n0.407025 0.696481 0.360090 O\n0.408856 0.729899 0.896949 O\n0.908728 0.240520 0.408357 O\n0.911353 0.236966 0.921355 O\n0.893021 0.729979 0.407340 O\n0.898048 0.733136 0.900745 O\n0.147530 0.251289 0.313459 O\n0.178529 0.252754 0.801119 O\n0.159956 0.749434 0.336768 O\n0.145213 0.737781 0.846997 O\n0.659500 0.220200 0.346887 O\n0.657993 0.228801 0.857731 O\n0.659185 0.721637 0.354333 O\n0.649148 0.727804 0.854852 O\n0.355831 0.765219 0.643512 O\n0.865033 0.276153 0.150240 O\n0.858377 0.276083 0.650957 O\n0.866494 0.769993 0.140986 O\n0.851912 0.770726 0.647241 O\n0.361043 0.516861 0.160146 O\n0.350545 0.496431 0.642945 O\n0.349768 0.002526 0.160339 O\n0.347128 0.996048 0.663024 O\n0.861333 0.486910 0.143032 O\n0.853322 0.479840 0.644786 O\n0.845456 0.977913 0.140760 O\n0.852571 0.979666 0.647852 O\n0.145355 0.008689 0.366224 O\n0.149715 0.002886 0.861097 O\n0.148591 0.511278 0.357826 O\n0.146971 0.526440 0.859912 O\n0.625564 0.023470 0.339865 O\n0.635578 0.031505 0.848251 O\n0.625349 0.530057 0.364351 O\n0.640715 0.514308 0.857434 O\n0.387966 0.513022 0.899234 O\n0.879191 0.011014 0.387361 O\n0.887163 0.011532 0.895924 O\n0.888106 0.520202 0.390643 O\n0.892138 0.516897 0.895125 O\n0.111483 0.481533 0.104019 O\n0.096833 0.476336 0.616515 O\n0.099566 0.972244 0.110401 O\n0.097819 0.978353 0.621385 O\n0.615438 0.495120 0.109748 O\n0.601176 0.488237 0.609283 O\n0.587568 0.992260 0.077678 O\n0.590864 0.994447 0.582004 O\n0.993732 0.380937 0.290754 O\n0.014809 0.379061 0.798365 O\n0.998398 0.871529 0.292939 O\n0.000554 0.871545 0.794813 O\n0.478214 0.378233 0.291361 O\n0.485704 0.375200 0.761441 O\n0.473128 0.869477 0.292348 O\n0.517884 0.870771 0.776262 O\n0.489086 0.625404 0.720283 O\n0.993122 0.127679 0.219721 O\n0.001950 0.128397 0.735213 O\n0.006189 0.628247 0.216330 O\n0.985753 0.625349 0.716948 O\n0.213525 0.135842 0.018629 O\n0.236396 0.128166 0.531800 O\n0.224870 0.653860 0.055355 O\n0.229067 0.625866 0.523848 O\n0.755233 0.124744 0.038854 O\n0.752803 0.124876 0.538114 O\n0.749449 0.625550 0.035716 O\n0.744872 0.625299 0.547285 O\n0.282096 0.372390 0.484610 O\n0.293112 0.326643 0.021920 O\n0.281596 0.880606 0.474661 O\n0.295886 0.876047 0.988266 O\n0.738852 0.378113 0.464272 O\n0.750229 0.376534 0.970915 O\n0.744288 0.871301 0.466410 O\n0.739933 0.872696 0.965096 O\n",
"nsites": 148,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Mn",
"Cr",
"O"
],
"chemical_system": "Ca-Cr-Mn-O-Sr",
"density": 4.015715021349037,
"density_atomic": 0.07844008381717735,
"volume": 1886.790436697493,
"volume_molar": 7.67737675298255,
"formula_full": "Sr4 Ca28 Mn28 Cr4 O84",
"formula_reduced": "SrCa7Mn7CrO21",
"formula_anonymous": "ABC7D7E21",
"energy": -1147.9458723599998,
"energy_per_atom": -7.756391029459459,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1035.53787236,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 116.0000013,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:42.750000Z",
"spacegroup": 1
}
]
}