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=-energy&page=10182",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy&page=10180",
"results": [
{
"id": "mp-759077",
"created_at": "2022-09-04T14:43:12.333168Z",
"structure_string": "Li4 Mn4 P8 O28\n1.0\n11.407523 0.000000 0.000000\n0.000000 6.657619 0.000000\n0.000000 3.865709 6.945722\nLi Mn P O\n4 4 8 28\ndirect\n0.089253 0.734977 0.738564 Li\n0.410747 0.734977 0.238564 Li\n0.589253 0.265023 0.761436 Li\n0.910747 0.265023 0.261436 Li\n0.708739 0.551410 0.901084 Mn\n0.791261 0.551410 0.401083 Mn\n0.208739 0.448590 0.598916 Mn\n0.291261 0.448590 0.098916 Mn\n0.350981 0.987993 0.789634 P\n0.149019 0.987993 0.289634 P\n0.413166 0.631000 0.690307 P\n0.086834 0.631000 0.190307 P\n0.913166 0.369000 0.809693 P\n0.586834 0.369000 0.309693 P\n0.850981 0.012007 0.710366 P\n0.649019 0.012007 0.210366 P\n0.233813 0.119552 0.711499 O\n0.334197 0.772543 0.991558 O\n0.947069 0.867794 0.703089 O\n0.383576 0.891447 0.643204 O\n0.266187 0.119552 0.211499 O\n0.165803 0.772543 0.491558 O\n0.117275 0.608052 0.013897 O\n0.552931 0.867794 0.203089 O\n0.116424 0.891447 0.143204 O\n0.313063 0.481661 0.836405 O\n0.382725 0.608052 0.513897 O\n0.537899 0.575581 0.762881 O\n0.037899 0.424419 0.737119 O\n0.813063 0.518339 0.663595 O\n0.186937 0.481661 0.336405 O\n0.962101 0.575581 0.262881 O\n0.462101 0.424419 0.237119 O\n0.617275 0.391948 0.486103 O\n0.686937 0.518339 0.163595 O\n0.883576 0.108553 0.856796 O\n0.447069 0.132206 0.796911 O\n0.882725 0.391948 0.986103 O\n0.834197 0.227457 0.508442 O\n0.733813 0.880448 0.788501 O\n0.616424 0.108553 0.356796 O\n0.052931 0.132206 0.296911 O\n0.665803 0.227457 0.008442 O\n0.766187 0.880448 0.288501 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 2.969384237679906,
"density_atomic": 0.0834113189729456,
"volume": 527.506344963462,
"volume_molar": 7.219812411734285,
"formula_full": "Li4 Mn4 P8 O28",
"formula_reduced": "LiMnP2O7",
"formula_anonymous": "ABC2D7",
"energy": -336.13033778,
"energy_per_atom": -7.639325858636363,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -310.22233778,
"band_gap": 0.0,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 15.9967965,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.512000Z",
"spacegroup": 14
},
{
"id": "mp-1222594",
"created_at": "2022-09-04T14:42:45.422956Z",
"structure_string": "Na7 V1 W6 O38\n1.0\n-7.999267 0.000000 0.000000\n-0.415330 -10.828626 0.000000\n2.660936 4.891049 9.447448\nNa V W O\n7 1 6 38\ndirect\n0.425819 0.803842 0.183021 Na\n0.441082 0.928247 0.969447 Na\n0.027377 0.307499 0.314194 Na\n0.585578 0.381345 0.054688 Na\n0.988057 0.940508 0.292460 Na\n0.221122 0.603988 0.637711 Na\n0.078609 0.173098 0.821912 Na\n0.733406 0.515932 0.558533 V\n0.670122 0.592818 0.879448 W\n0.958435 0.781599 0.854242 W\n0.609044 0.842109 0.660349 W\n0.441638 0.329608 0.594007 W\n0.368298 0.584543 0.377504 W\n0.491219 0.267244 0.287159 W\n0.642807 0.642014 0.488093 O\n0.857191 0.097932 0.223468 O\n0.939547 0.592979 0.646247 O\n0.386100 0.218113 0.842217 O\n0.927983 0.705051 0.282924 O\n0.261804 0.199317 0.206698 O\n0.766824 0.715558 0.285773 O\n0.818271 0.177260 0.896386 O\n0.207140 0.968585 0.187737 O\n0.155132 0.515703 0.350046 O\n0.534599 0.966849 0.808038 O\n0.140435 0.436432 0.974613 O\n0.681201 0.702756 0.756907 O\n0.518160 0.198275 0.424446 O\n0.183658 0.775694 0.857003 O\n0.264500 0.501724 0.976276 O\n0.021720 0.090850 0.568813 O\n0.375877 0.735244 0.566177 O\n0.459262 0.446722 0.476024 O\n0.592634 0.740026 0.010832 O\n0.252652 0.990297 0.502114 O\n0.478515 0.222799 0.684321 O\n0.168356 0.035732 0.596375 O\n0.611390 0.930212 0.558280 O\n0.456508 0.418099 0.233030 O\n0.435442 0.510204 0.756522 O\n0.966668 0.932708 0.024858 O\n0.916854 0.649805 0.921030 O\n0.700303 0.432464 0.669622 O\n0.221054 0.090976 0.980259 O\n0.213267 0.312691 0.521258 O\n0.712194 0.477683 0.956499 O\n0.748732 0.373328 0.401380 O\n0.343121 0.679476 0.278099 O\n0.589440 0.143073 0.153388 O\n0.832321 0.221457 0.024076 O\n0.865770 0.874053 0.740123 O\n0.716064 0.841082 0.336872 O\n",
"nsites": 52,
"nelements": 4,
"elements": [
"Na",
"V",
"W",
"O"
],
"chemical_system": "Na-O-V-W",
"density": 3.9017983666178617,
"density_atomic": 0.06354264465066224,
"volume": 818.3480603597769,
"volume_molar": 9.477321557999142,
"formula_full": "Na7 V1 W6 O38",
"formula_reduced": "Na7V(W3O19)2",
"formula_anonymous": "AB6C7D38",
"energy": -336.13351813,
"energy_per_atom": -6.464106117884616,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -307.80551813,
"band_gap": 0.2987999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0000667,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.642000Z",
"spacegroup": 1
},
{
"id": "mp-1516734",
"created_at": "2022-09-04T14:44:28.754059Z",
"structure_string": "Ba4 Eu4 Sn4 W4 O24\n1.0\n8.632347 0.000000 0.000000\n0.000000 8.673374 0.000000\n0.000000 0.000000 8.582077\nBa Eu Sn W O\n4 4 4 4 24\ndirect\n0.000000 -0.000000 -0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.500000 -0.000000 -0.000000 Ba\n0.000000 -0.000000 0.500000 Ba\n0.000000 0.500000 0.500000 Eu\n0.500000 -0.000000 0.500000 Eu\n0.500000 0.500000 -0.000000 Eu\n0.000000 0.500000 -0.000000 Eu\n0.761658 0.732728 0.751769 Sn\n0.238342 0.267272 0.751769 Sn\n0.238342 0.732728 0.248231 Sn\n0.761658 0.267272 0.248231 Sn\n0.246531 0.260982 0.246632 W\n0.753469 0.739018 0.246632 W\n0.753469 0.260982 0.753368 W\n0.246531 0.739018 0.753368 W\n0.016593 0.234829 0.289775 O\n0.983407 0.765171 0.289775 O\n0.983407 0.234829 0.710225 O\n0.016593 0.765171 0.710225 O\n0.264827 0.047645 0.198042 O\n0.264827 0.952355 0.801958 O\n0.735173 0.952355 0.198042 O\n0.735173 0.047645 0.801958 O\n0.194624 0.305517 0.025397 O\n0.805376 0.305517 0.974603 O\n0.194624 0.694483 0.974603 O\n0.805376 0.694483 0.025397 O\n0.456634 0.313078 0.202348 O\n0.543366 0.686922 0.202348 O\n0.543366 0.313078 0.797652 O\n0.456634 0.686922 0.797652 O\n0.208849 0.487772 0.303398 O\n0.208849 0.512228 0.696602 O\n0.791151 0.512228 0.303398 O\n0.791151 0.487772 0.696602 O\n0.299007 0.217200 0.463814 O\n0.700993 0.217200 0.536186 O\n0.299007 0.782800 0.536186 O\n0.700993 0.782800 0.463814 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Ba",
"Eu",
"Sn",
"W",
"O"
],
"chemical_system": "Ba-Eu-O-Sn-W",
"density": 7.110260375493494,
"density_atomic": 0.062251614751203714,
"volume": 642.553613426173,
"volume_molar": 9.6738707647476,
"formula_full": "Ba4 Eu4 Sn4 W4 O24",
"formula_reduced": "BaEuSnWO6",
"formula_anonymous": "ABCDE6",
"energy": -336.13364324,
"energy_per_atom": -8.403341081,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -301.89364324,
"band_gap": 0.0630999999999994,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 27.9999986,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:39.505000Z",
"spacegroup": 16
},
{
"id": "mp-29784",
"created_at": "2022-09-04T14:41:58.294643Z",
"structure_string": "K4 Mo18 S22\n1.0\n12.362205 -4.703215 0.000000\n12.362205 4.703215 0.000000\n10.572862 0.000000 7.947260\nK Mo S\n4 18 22\ndirect\n0.053572 0.053572 0.053572 K\n0.946428 0.946428 0.946428 K\n0.446428 0.446428 0.446428 K\n0.553572 0.553572 0.553572 K\n0.028258 0.355773 0.176931 Mo\n0.176931 0.028258 0.355773 Mo\n0.355773 0.176931 0.028258 Mo\n0.471742 0.323069 0.144227 Mo\n0.144227 0.471742 0.323069 Mo\n0.323069 0.144227 0.471742 Mo\n0.971742 0.644227 0.823069 Mo\n0.823069 0.971742 0.644227 Mo\n0.644227 0.823069 0.971742 Mo\n0.528258 0.676931 0.855773 Mo\n0.855773 0.528258 0.676931 Mo\n0.676931 0.855773 0.528258 Mo\n0.417633 0.082367 0.250000 Mo\n0.250000 0.417633 0.082367 Mo\n0.082367 0.250000 0.417633 Mo\n0.582367 0.917633 0.750000 Mo\n0.750000 0.582367 0.917633 Mo\n0.917633 0.750000 0.582367 Mo\n0.946539 0.553461 0.250000 S\n0.983447 0.713923 0.378862 S\n0.553461 0.250000 0.946539 S\n0.713923 0.378862 0.983447 S\n0.136186 0.136186 0.136186 S\n0.363814 0.363814 0.363814 S\n0.863814 0.863814 0.863814 S\n0.636186 0.636186 0.636186 S\n0.878862 0.213923 0.483447 S\n0.483447 0.878862 0.213923 S\n0.213923 0.483447 0.878862 S\n0.621138 0.016553 0.286077 S\n0.286077 0.621138 0.016553 S\n0.016553 0.286077 0.621138 S\n0.121138 0.786077 0.516553 S\n0.516553 0.121138 0.786077 S\n0.786077 0.516553 0.121138 S\n0.378862 0.983447 0.713923 S\n0.750000 0.053461 0.446539 S\n0.053461 0.446539 0.750000 S\n0.446539 0.750000 0.053461 S\n0.250000 0.946539 0.553461 S\n",
"nsites": 44,
"nelements": 3,
"elements": [
"K",
"Mo",
"S"
],
"chemical_system": "K-Mo-S",
"density": 4.651573396460788,
"density_atomic": 0.04761178742565506,
"volume": 924.1408982745123,
"volume_molar": 12.64842402609535,
"formula_full": "K4 Mo18 S22",
"formula_reduced": "K2Mo9S11",
"formula_anonymous": "A2B9C11",
"energy": -336.1434955,
"energy_per_atom": -7.6396248977272725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -325.0774955,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0064717,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:32.515000Z",
"spacegroup": 167
},
{
"id": "mp-760294",
"created_at": "2022-09-04T14:45:15.251576Z",
"structure_string": "Li8 V8 F40\n1.0\n7.905526 0.000000 0.000000\n0.000000 9.402292 0.000000\n0.000000 8.336231 10.446636\nLi V F\n8 8 40\ndirect\n0.634465 0.215516 0.911905 Li\n0.658059 0.663749 0.472631 Li\n0.134465 0.784484 0.588095 Li\n0.158059 0.336251 0.027369 Li\n0.841941 0.663749 0.972631 Li\n0.865535 0.215516 0.411905 Li\n0.341941 0.336251 0.527369 Li\n0.365535 0.784484 0.088095 Li\n0.200344 0.199425 0.816811 V\n0.225152 0.791649 0.332722 V\n0.725152 0.208351 0.167278 V\n0.700344 0.800575 0.683189 V\n0.299656 0.199425 0.316811 V\n0.274848 0.791649 0.832722 V\n0.774848 0.208351 0.667278 V\n0.799656 0.800575 0.183189 V\n0.245520 0.381642 0.648233 F\n0.770165 0.443998 0.613382 F\n0.809608 0.023939 0.025994 F\n0.404706 0.243419 0.862590 F\n0.016833 0.841402 0.233355 F\n0.337589 0.884029 0.185003 F\n0.092478 0.328084 0.858506 F\n0.426776 0.743311 0.421057 F\n0.093889 0.734975 0.465812 F\n0.704017 0.951317 0.233633 F\n0.592478 0.671916 0.641494 F\n0.204017 0.048683 0.266367 F\n0.593889 0.265025 0.034188 F\n0.926776 0.256689 0.078943 F\n0.904706 0.756581 0.637410 F\n0.270165 0.556002 0.886618 F\n0.837589 0.115971 0.314997 F\n0.745520 0.618358 0.851767 F\n0.516833 0.158598 0.266645 F\n0.309608 0.976061 0.474006 F\n0.690392 0.023939 0.525994 F\n0.483167 0.841402 0.733355 F\n0.254480 0.381642 0.148233 F\n0.162411 0.884029 0.685003 F\n0.729835 0.443998 0.113382 F\n0.095294 0.243419 0.362590 F\n0.073224 0.743311 0.921057 F\n0.406111 0.734975 0.965812 F\n0.795983 0.951317 0.733633 F\n0.407522 0.328084 0.358506 F\n0.295983 0.048683 0.766367 F\n0.906111 0.265025 0.534188 F\n0.573224 0.256689 0.578943 F\n0.907522 0.671916 0.141494 F\n0.662411 0.115971 0.814997 F\n0.983167 0.158598 0.766645 F\n0.595294 0.756581 0.137410 F\n0.190392 0.976061 0.974006 F\n0.229835 0.556002 0.386618 F\n0.754480 0.618358 0.351767 F\n",
"nsites": 56,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 2.6153704412062844,
"density_atomic": 0.07211856199336271,
"volume": 776.4991210605925,
"volume_molar": 8.350333941148516,
"formula_full": "Li8 V8 F40",
"formula_reduced": "LiVF5",
"formula_anonymous": "ABC5",
"energy": -336.145047,
"energy_per_atom": -6.002590124999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -304.065047,
"band_gap": 1.8108,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0001168,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:56.380000Z",
"spacegroup": 14
},
{
"id": "mp-1245194",
"created_at": "2022-09-04T14:44:21.224689Z",
"structure_string": "Zn50 S50\n1.0\n13.020097 0.521879 0.184124\n0.540779 13.474172 0.827948\n0.194326 0.787727 14.477898\nZn S\n50 50\ndirect\n0.558033 0.950972 0.376042 Zn\n0.147438 0.609715 0.625182 Zn\n0.385402 0.667296 0.470216 Zn\n0.923926 0.321682 0.278158 Zn\n0.355363 0.558668 0.933087 Zn\n0.244490 0.002641 0.687648 Zn\n0.739380 0.095714 0.237642 Zn\n0.653730 0.532521 0.448436 Zn\n0.081655 0.413246 0.802080 Zn\n0.392276 0.225967 0.528452 Zn\n0.027492 0.889591 0.235179 Zn\n0.136491 0.004252 0.276991 Zn\n0.323955 0.841516 0.013258 Zn\n0.865940 -0.000458 0.019101 Zn\n0.032901 0.262407 0.041631 Zn\n0.188971 0.719009 0.010638 Zn\n0.074483 0.158439 0.752696 Zn\n0.621174 0.358498 0.193451 Zn\n0.877804 0.298734 0.805644 Zn\n0.512711 0.002445 0.602055 Zn\n0.642284 0.772113 0.487364 Zn\n0.397187 0.450875 0.345817 Zn\n0.611088 0.606229 0.926252 Zn\n0.373660 0.987275 0.891108 Zn\n0.648195 0.049457 0.775164 Zn\n0.651865 0.301031 0.409986 Zn\n0.788720 0.589266 0.168072 Zn\n0.976033 0.050563 0.871642 Zn\n0.862171 0.627778 0.570817 Zn\n0.887123 0.109313 0.718217 Zn\n0.232187 0.034719 0.438343 Zn\n0.571418 0.758732 0.055652 Zn\n0.999285 0.829230 0.720533 Zn\n0.197692 0.236981 0.285128 Zn\n0.443498 0.741869 0.252852 Zn\n0.209334 0.538343 0.110831 Zn\n0.495708 0.426439 0.083639 Zn\n0.107270 0.794913 0.470353 Zn\n0.837633 0.912220 0.882848 Zn\n0.665706 0.258961 0.623961 Zn\n0.159259 0.401885 0.530606 Zn\n0.194479 0.118218 0.937265 Zn\n0.192127 0.894210 0.900035 Zn\n0.942300 0.592815 0.362668 Zn\n0.175362 0.641538 0.237538 Zn\n0.703749 0.879212 0.197318 Zn\n0.848431 0.418909 0.952037 Zn\n0.338211 0.253003 0.921130 Zn\n0.913672 0.358378 0.521444 Zn\n0.810889 0.696669 0.922721 Zn\n0.184723 0.569551 0.943182 S\n0.568987 0.188867 0.522021 S\n0.241901 0.139282 0.769844 S\n-0.002150 0.720074 0.606318 S\n0.728526 0.604718 0.682559 S\n0.286531 0.078404 0.289295 S\n0.483304 0.031338 0.757069 S\n0.644320 0.939720 0.512126 S\n0.955735 0.772610 0.881333 S\n0.727793 0.195637 0.764741 S\n0.316076 0.389265 0.111952 S\n0.973075 0.240077 0.426130 S\n0.171161 0.864197 0.750254 S\n0.593449 0.669090 0.625074 S\n0.579319 0.451278 0.331274 S\n0.084413 -0.000079 0.994049 S\n0.919666 0.498913 0.241565 S\n0.602640 0.492930 0.821680 S\n0.151633 0.301454 0.927100 S\n0.738178 0.378783 0.524695 S\n0.129576 0.259491 0.441299 S\n0.770639 0.550131 0.016593 S\n0.519092 0.562348 0.557036 S\n0.963338 0.261616 0.665726 S\n0.192181 0.450154 0.682963 S\n0.909937 0.467190 0.805996 S\n0.357473 0.104183 0.004293 S\n0.592762 0.015124 0.229476 S\n0.049389 0.725852 0.326884 S\n0.852451 0.967197 0.177857 S\n0.769752 0.658880 0.429408 S\n0.670164 0.718620 0.191064 S\n0.339744 0.058970 0.555744 S\n0.477975 0.429739 0.895529 S\n0.339056 0.620823 0.320698 S\n0.079117 0.966916 0.450346 S\n0.472623 0.604597 0.033748 S\n0.251273 0.725555 0.554675 S\n-0.003276 0.502856 0.503263 S\n0.337264 0.386738 0.493576 S\n0.646433 0.777696 0.909229 S\n0.753321 0.911568 0.741086 S\n0.753121 0.251825 0.275905 S\n0.439779 0.853508 0.122257 S\n0.432739 0.332172 0.808601 S\n0.340553 0.334550 0.251129 S\n0.875090 0.246279 0.972012 S\n0.874912 0.962338 0.652817 S\n0.490421 0.796079 0.391645 S\n0.048732 0.233287 0.195686 S\n",
"nsites": 100,
"nelements": 2,
"elements": [
"Zn",
"S"
],
"chemical_system": "S-Zn",
"density": 3.2025577079918195,
"density_atomic": 0.039572097823449594,
"volume": 2527.033073812481,
"volume_molar": 15.218148875674228,
"formula_full": "Zn50 S50",
"formula_reduced": "ZnS",
"formula_anonymous": "AB",
"energy": -336.14580275,
"energy_per_atom": -3.3614580275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -310.99580275,
"band_gap": 1.2368,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:25.910000Z",
"spacegroup": 1
},
{
"id": "mp-685427",
"created_at": "2022-09-04T14:45:14.016567Z",
"structure_string": "Hg60 As32 Cl48\n1.0\n12.539750 0.000000 0.000000\n0.000000 12.551128 0.000000\n0.000000 0.000000 25.067892\nHg As Cl\n60 32 48\ndirect\n0.999941 0.000012 0.874744 Hg\n0.500048 0.000009 0.624744 Hg\n0.290519 0.026799 0.984463 Hg\n0.210029 0.026541 0.234569 Hg\n0.289802 0.026087 0.484721 Hg\n0.209687 0.026464 0.734616 Hg\n0.718954 0.210161 0.888301 Hg\n0.719308 0.209682 0.388249 Hg\n0.780643 0.209821 0.138331 Hg\n0.781083 0.210033 0.638222 Hg\n0.473691 0.219375 0.269883 Hg\n0.026681 0.219260 0.020110 Hg\n0.473222 0.218796 0.770272 Hg\n0.026495 0.218917 0.520014 Hg\n0.526495 0.281083 0.020014 Hg\n0.973222 0.281204 0.270272 Hg\n0.973691 0.280625 0.769883 Hg\n0.526681 0.280740 0.520110 Hg\n0.218954 0.289839 0.388301 Hg\n0.219308 0.290318 0.888249 Hg\n0.281083 0.289967 0.138222 Hg\n0.280643 0.290179 0.638331 Hg\n0.789802 0.473913 0.984721 Hg\n0.790519 0.473201 0.484463 Hg\n0.710029 0.473459 0.734569 Hg\n0.709687 0.473536 0.234616 Hg\n0.500028 0.500006 0.624999 Hg\n0.000048 0.499991 0.124744 Hg\n0.500048 0.500009 0.875256 Hg\n0.000028 0.499994 0.375001 Hg\n0.999941 0.500012 0.625256 Hg\n0.499941 0.499988 0.374744 Hg\n0.289802 0.526087 0.015279 Hg\n0.290519 0.526799 0.515537 Hg\n0.210029 0.526541 0.265431 Hg\n0.209687 0.526464 0.765384 Hg\n0.719308 0.709682 0.111751 Hg\n0.780643 0.709821 0.361669 Hg\n0.718954 0.710161 0.611699 Hg\n0.781083 0.710033 0.861778 Hg\n0.026495 0.718917 0.979986 Hg\n0.473691 0.719375 0.230117 Hg\n0.026681 0.719260 0.479890 Hg\n0.473222 0.718796 0.729728 Hg\n0.973222 0.781204 0.229728 Hg\n0.526681 0.780740 0.979890 Hg\n0.973691 0.780625 0.730117 Hg\n0.526495 0.781083 0.479986 Hg\n0.218954 0.789839 0.111699 Hg\n0.281083 0.789967 0.361778 Hg\n0.219308 0.790318 0.611751 Hg\n0.280643 0.790179 0.861669 Hg\n0.709687 0.973536 0.265384 Hg\n0.790519 0.973201 0.015537 Hg\n0.710029 0.973459 0.765431 Hg\n0.789802 0.973913 0.515279 Hg\n0.000048 0.999991 0.375256 Hg\n0.499941 0.999988 0.125256 Hg\n0.500028 0.000006 0.875001 Hg\n0.000028 0.999994 0.124999 Hg\n0.667022 0.167145 0.291445 As\n0.832511 0.167504 0.041287 As\n0.832852 0.166994 0.541444 As\n0.667531 0.167323 0.791277 As\n0.281342 0.218693 0.234292 As\n0.280964 0.218808 0.734482 As\n0.218994 0.219011 0.984430 As\n0.218679 0.218478 0.484378 As\n0.780964 0.281192 0.234482 As\n0.718679 0.281522 0.984378 As\n0.781342 0.281307 0.734292 As\n0.718994 0.280989 0.484430 As\n0.167531 0.332677 0.291277 As\n0.167022 0.332855 0.791445 As\n0.332852 0.333006 0.041444 As\n0.332511 0.332496 0.541287 As\n0.667022 0.667145 0.208555 As\n0.832852 0.666994 0.958556 As\n0.832511 0.667504 0.458713 As\n0.667531 0.667323 0.708723 As\n0.218679 0.718478 0.015622 As\n0.281342 0.718693 0.265708 As\n0.218994 0.719011 0.515570 As\n0.280964 0.718808 0.765518 As\n0.780964 0.781192 0.265518 As\n0.718994 0.780989 0.015570 As\n0.781342 0.781307 0.765708 As\n0.718679 0.781522 0.515622 As\n0.167531 0.832677 0.208723 As\n0.332511 0.832496 0.958713 As\n0.332852 0.833006 0.458556 As\n0.167022 0.832855 0.708555 As\n0.288765 0.034352 0.104108 Cl\n0.286573 0.034263 0.604396 Cl\n0.213361 0.034101 0.354290 Cl\n0.211264 0.034501 0.854211 Cl\n0.534572 0.041529 0.019304 Cl\n0.965518 0.041693 0.269303 Cl\n0.966024 0.041341 0.768442 Cl\n0.533871 0.041526 0.518446 Cl\n0.541589 0.213365 0.141983 Cl\n0.958727 0.213249 0.892049 Cl\n0.541455 0.211118 0.642226 Cl\n0.958242 0.211231 0.392172 Cl\n0.041455 0.288882 0.142226 Cl\n0.458727 0.286751 0.392049 Cl\n0.458242 0.288769 0.892172 Cl\n0.041589 0.286635 0.641983 Cl\n0.033871 0.458474 0.018446 Cl\n0.034572 0.458471 0.519304 Cl\n0.466024 0.458659 0.268442 Cl\n0.465518 0.458307 0.769303 Cl\n0.711264 0.465499 0.354211 Cl\n0.786573 0.465737 0.104396 Cl\n0.713361 0.465899 0.854290 Cl\n0.788765 0.465648 0.604108 Cl\n0.213361 0.534101 0.145710 Cl\n0.286573 0.534263 0.895604 Cl\n0.211264 0.534501 0.645789 Cl\n0.288765 0.534352 0.395892 Cl\n0.533871 0.541526 0.981554 Cl\n0.534572 0.541529 0.480696 Cl\n0.965518 0.541693 0.230697 Cl\n0.966024 0.541341 0.731558 Cl\n0.541589 0.713365 0.358017 Cl\n0.541455 0.711118 0.857774 Cl\n0.958242 0.711231 0.107828 Cl\n0.958727 0.713249 0.607951 Cl\n0.041455 0.788882 0.357774 Cl\n0.458727 0.786751 0.107951 Cl\n0.041589 0.786635 0.858017 Cl\n0.458242 0.788769 0.607828 Cl\n0.034572 0.958471 0.980696 Cl\n0.466024 0.958659 0.231558 Cl\n0.033871 0.958474 0.481554 Cl\n0.465518 0.958307 0.730697 Cl\n0.788765 0.965648 0.895892 Cl\n0.786573 0.965737 0.395604 Cl\n0.711264 0.965499 0.145789 Cl\n0.713361 0.965899 0.645710 Cl\n",
"nsites": 140,
"nelements": 3,
"elements": [
"Hg",
"As",
"Cl"
],
"chemical_system": "As-Cl-Hg",
"density": 6.790766478785344,
"density_atomic": 0.03548449131637897,
"volume": 3945.3855700441914,
"volume_molar": 16.971190896627828,
"formula_full": "Hg60 As32 Cl48",
"formula_reduced": "Hg15(As2Cl3)4",
"formula_anonymous": "A8B12C15",
"energy": -336.15092769999995,
"energy_per_atom": -2.4010780549999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -306.6789277,
"band_gap": 1.2755999999999998,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 8.33e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:52.020000Z",
"spacegroup": 33
},
{
"id": "mp-1214293",
"created_at": "2022-09-04T14:44:27.221814Z",
"structure_string": "Ca4 Al6 Si6 O28\n1.0\n2.954002 9.961024 0.000000\n-2.954002 9.961024 0.000000\n0.000000 1.182293 8.588526\nCa Al Si O\n4 6 6 28\ndirect\n0.839280 0.839280 0.251691 Ca\n0.160720 0.160720 0.748309 Ca\n0.652721 0.652721 0.336542 Ca\n0.347279 0.347279 0.663458 Ca\n0.737932 0.249686 0.244145 Al\n0.262068 0.750314 0.755855 Al\n0.750314 0.262068 0.755855 Al\n0.249686 0.737932 0.244145 Al\n0.500000 0.000000 0.000000 Al\n0.000000 0.500000 0.000000 Al\n0.913967 0.913967 0.557687 Si\n0.086033 0.086033 0.442313 Si\n0.402461 0.402461 0.033541 Si\n0.597539 0.597539 0.966459 Si\n0.757260 0.757260 0.667782 Si\n0.242740 0.242740 0.332218 Si\n0.976483 0.976483 0.878545 O\n0.023517 0.023517 0.121455 O\n0.635930 0.195942 0.142784 O\n0.364070 0.804058 0.857216 O\n0.804058 0.364070 0.857216 O\n0.195942 0.635930 0.142784 O\n0.803761 0.803761 0.010251 O\n0.196239 0.196239 0.989749 O\n0.831225 0.831225 0.546719 O\n0.168775 0.168775 0.453281 O\n0.674618 0.674618 0.018853 O\n0.325382 0.325382 0.981147 O\n0.473858 0.010097 0.224363 O\n0.526142 0.989903 0.775637 O\n0.989903 0.526142 0.775637 O\n0.010097 0.473858 0.224363 O\n0.698546 0.698546 0.558866 O\n0.301454 0.301454 0.441134 O\n0.541500 0.541500 0.125130 O\n0.458500 0.458500 0.874870 O\n0.294687 0.840967 0.351551 O\n0.705313 0.159033 0.648449 O\n0.159033 0.705313 0.648449 O\n0.840967 0.294687 0.351551 O\n0.946414 0.946414 0.372179 O\n0.053586 0.053586 0.627821 O\n0.454869 0.454869 0.366333 O\n0.545131 0.545131 0.633667 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Ca",
"Al",
"Si",
"O"
],
"chemical_system": "Al-Ca-O-Si",
"density": 3.083978382510926,
"density_atomic": 0.08705410894560145,
"volume": 505.432776613621,
"volume_molar": 6.91769846701105,
"formula_full": "Ca4 Al6 Si6 O28",
"formula_reduced": "Ca2Al3Si3O14",
"formula_anonymous": "A2B3C3D14",
"energy": -336.15378338,
"energy_per_atom": -7.639858713181818,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -316.91778338,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0337818,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:44.065000Z",
"spacegroup": 12
},
{
"id": "mp-1245122",
"created_at": "2022-09-04T14:48:27.085477Z",
"structure_string": "Zn50 S50\n1.0\n12.730745 0.127760 0.158478\n0.142963 13.291043 -0.625080\n0.140836 -0.659159 13.926264\nZn S\n50 50\ndirect\n0.328141 0.708752 0.206978 Zn\n0.388513 0.409728 0.481451 Zn\n0.934369 0.912290 0.733378 Zn\n0.621943 0.158444 0.072305 Zn\n0.282255 0.015606 0.424177 Zn\n0.598980 0.949174 0.948368 Zn\n0.770053 0.176124 0.360548 Zn\n0.075090 0.172886 0.312345 Zn\n0.767928 0.464953 0.753362 Zn\n0.814308 0.924948 0.205595 Zn\n0.498677 0.238527 0.868620 Zn\n0.720134 0.667371 0.927030 Zn\n0.200013 0.392542 0.660695 Zn\n0.840552 0.974831 0.977019 Zn\n0.721105 0.765267 0.729441 Zn\n0.715230 0.449618 0.075275 Zn\n0.484286 0.564549 0.015096 Zn\n0.066920 0.098107 0.782391 Zn\n0.206635 0.159297 0.979403 Zn\n0.994198 0.668592 0.835157 Zn\n0.290399 0.928504 0.032024 Zn\n0.171365 0.880720 0.883952 Zn\n0.621517 0.295717 0.574002 Zn\n0.271562 0.823923 0.565947 Zn\n0.901309 0.774926 0.490081 Zn\n0.105718 0.848449 0.051374 Zn\n0.573647 0.416899 0.873043 Zn\n0.964920 0.170102 0.599925 Zn\n0.767218 0.174416 0.799431 Zn\n0.493544 0.336026 0.719824 Zn\n0.781374 0.507325 0.511286 Zn\n0.333890 0.140990 0.733686 Zn\n0.009123 0.118026 0.151891 Zn\n0.439676 0.153493 0.104293 Zn\n0.325494 0.648748 0.736372 Zn\n0.366465 0.740145 0.888696 Zn\n0.716199 0.011635 0.556619 Zn\n0.267060 0.598694 0.415733 Zn\n0.165567 0.586534 0.000047 Zn\n0.206934 0.030691 0.265129 Zn\n0.918963 0.629899 0.132888 Zn\n0.604761 0.904192 0.391102 Zn\n0.273760 0.389520 0.876812 Zn\n0.148866 0.778082 0.323299 Zn\n0.043621 0.599131 0.594199 Zn\n0.895608 0.381433 0.291975 Zn\n0.984198 0.378463 0.806845 Zn\n0.035786 0.368677 0.071646 Zn\n0.423366 0.217048 0.591201 Zn\n0.460090 0.693670 0.443465 Zn\n0.451295 0.863839 0.982339 S\n0.847419 0.222471 0.213256 S\n0.922698 0.603502 0.479508 S\n0.224478 0.044998 0.837325 S\n0.194335 0.613447 0.272094 S\n0.900551 0.054779 0.839541 S\n0.210604 0.860209 0.187379 S\n0.870623 0.766636 0.261528 S\n0.532048 0.972633 0.539150 S\n0.077824 0.251524 0.713662 S\n0.023936 0.693253 0.006318 S\n0.735439 0.840470 0.886846 S\n0.066059 0.801642 0.764594 S\n0.545431 0.406911 0.040899 S\n0.827231 0.627394 0.781780 S\n0.981244 0.480831 0.191185 S\n0.960855 0.955418 0.098205 S\n0.724850 0.290326 0.137295 S\n0.443298 0.730189 0.610452 S\n0.108127 0.434873 0.935943 S\n0.583962 0.739503 0.330800 S\n0.812551 0.348191 0.855119 S\n0.274127 0.088651 0.116242 S\n0.977288 0.841555 0.358357 S\n0.343968 0.269393 0.958141 S\n0.213854 -0.000468 0.590853 S\n0.505311 0.738890 0.199677 S\n0.640274 0.302556 0.398927 S\n0.434333 0.522888 0.387012 S\n0.061016 0.508742 0.722003 S\n0.751648 0.614306 0.077359 S\n0.623306 0.118122 0.890379 S\n0.599279 0.781468 0.611365 S\n0.047810 0.003000 0.602923 S\n0.905236 0.253704 0.473999 S\n0.024055 0.325638 0.400495 S\n0.814431 0.871103 0.612460 S\n0.701330 0.998562 0.092973 S\n0.272535 0.302314 0.522912 S\n0.215457 0.653310 0.576292 S\n0.564029 0.594296 0.868177 S\n0.311514 0.825646 0.404143 S\n0.765032 0.166314 0.628153 S\n0.324564 0.646337 0.034304 S\n0.725864 0.429613 0.365040 S\n0.749956 0.003259 0.366356 S\n0.454103 0.087861 0.465770 S\n0.667142 0.463832 0.623854 S\n0.344914 0.456993 0.747121 S\n0.035025 0.206060 0.018499 S\n",
"nsites": 100,
"nelements": 2,
"elements": [
"Zn",
"S"
],
"chemical_system": "S-Zn",
"density": 3.4429827470070293,
"density_atomic": 0.04254288680857062,
"volume": 2350.5692138375093,
"volume_molar": 14.15545867185202,
"formula_full": "Zn50 S50",
"formula_reduced": "ZnS",
"formula_anonymous": "AB",
"energy": -336.15386031,
"energy_per_atom": -3.3615386031,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -311.00386031,
"band_gap": 1.2726000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:35.413000Z",
"spacegroup": 1
},
{
"id": "mp-787551",
"created_at": "2022-09-04T14:40:18.883303Z",
"structure_string": "Na10 Li2 V12 O36\n1.0\n10.346801 0.000000 0.000000\n-0.076433 11.188200 0.000000\n-2.830931 -1.802817 7.369206\nNa Li V O\n10 2 12 36\ndirect\n0.139496 0.054840 0.944698 Na\n0.442599 0.153721 0.846371 Na\n0.890924 0.179904 0.820519 Na\n0.472769 0.387861 0.612604 Na\n0.223028 0.513086 0.487576 Na\n0.526172 0.611852 0.388092 Na\n0.777285 0.486699 0.513602 Na\n0.109220 0.820000 0.179564 Na\n0.807666 0.722336 0.277697 Na\n0.557320 0.846404 0.152531 Na\n0.189829 0.280067 0.719902 Li\n0.856343 0.946944 0.053215 Li\n0.357607 0.737319 0.841013 V\n0.021610 0.823166 0.598736 V\n0.689049 0.489596 0.931775 V\n0.648247 0.847874 0.739084 V\n0.975629 0.592067 0.824951 V\n0.306716 0.928570 0.492967 V\n0.024376 0.403559 0.174930 V\n0.692101 0.073471 0.509050 V\n0.354495 0.153369 0.264165 V\n0.980591 0.180018 0.403083 V\n0.311599 0.511801 0.066250 V\n0.643642 0.256383 0.156800 V\n0.008863 0.786783 0.963639 O\n0.271782 0.876749 0.830380 O\n0.515819 0.861334 0.841518 O\n0.774831 0.880538 0.840575 O\n0.064936 0.453606 0.831385 O\n0.285243 0.313066 0.931638 O\n0.658882 0.301606 0.995776 O\n0.560129 0.457364 0.835588 O\n0.315138 0.538695 0.706418 O\n0.817741 0.467640 0.823315 O\n0.149479 0.801510 0.489661 O\n0.394471 0.791569 0.504484 O\n0.623698 0.646765 0.607555 O\n0.050203 0.028830 0.726197 O\n0.325024 0.966641 0.328909 O\n0.991928 0.635772 0.663286 O\n0.892758 0.790708 0.502224 O\n0.652679 0.879197 0.370888 O\n0.340741 0.123675 0.631263 O\n0.106783 0.210334 0.504482 O\n0.676174 0.033642 0.672867 O\n0.009782 0.368673 0.340440 O\n0.954225 0.981684 0.267910 O\n0.378688 0.355168 0.394855 O\n0.605546 0.211959 0.498119 O\n0.849822 0.196101 0.508359 O\n0.182260 0.526811 0.174003 O\n0.681877 0.450620 0.295231 O\n0.439910 0.541138 0.162874 O\n0.341733 0.702656 0.006077 O\n0.717105 0.695045 0.059518 O\n0.938860 0.543216 0.163804 O\n0.226100 0.122508 0.167554 O\n0.484965 0.135832 0.157581 O\n0.731718 0.116370 0.162411 O\n0.981797 0.205291 0.040038 O\n",
"nsites": 60,
"nelements": 4,
"elements": [
"Na",
"Li",
"V",
"O"
],
"chemical_system": "Li-Na-O-V",
"density": 2.785599910918138,
"density_atomic": 0.0703338248785226,
"volume": 853.0746067575492,
"volume_molar": 8.562225601126013,
"formula_full": "Na10 Li2 V12 O36",
"formula_reduced": "Na5LiV6O18",
"formula_anonymous": "AB5C6D18",
"energy": -336.16355069,
"energy_per_atom": -5.6027258448333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -291.03155069,
"band_gap": 0.4948000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0009275,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.261000Z",
"spacegroup": 1
},
{
"id": "mp-1573040",
"created_at": "2022-09-04T14:41:14.537577Z",
"structure_string": "Li4 Ti2 V10 O24\n1.0\n-1.605426 1.421813 5.307778\n6.808564 -0.639423 -0.069485\n-1.116559 11.986828 -5.220872\nLi Ti V O\n4 2 10 24\ndirect\n0.407159 0.308434 0.155407 Li\n0.891851 0.302989 0.652688 Li\n0.083639 0.695215 0.354381 Li\n0.600349 0.687459 0.847548 Li\n0.716948 0.924501 0.461062 Ti\n0.213554 0.923839 0.963303 Ti\n0.499485 0.166240 0.816569 V\n0.906454 0.629472 0.086444 V\n0.575659 0.376545 0.418655 V\n0.098752 0.360130 0.915705 V\n0.991998 0.838823 0.682244 V\n0.790336 0.072925 0.037879 V\n0.300822 0.092108 0.542554 V\n0.973053 0.162661 0.315463 V\n0.381689 0.659109 0.600759 V\n0.493252 0.819754 0.174564 V\n0.056013 0.997773 0.405586 O\n0.544536 0.973024 0.904028 O\n0.366858 0.806098 0.488162 O\n0.849881 0.803149 0.987446 O\n0.886972 0.025884 0.173143 O\n0.377494 0.004452 0.677495 O\n0.815722 0.349965 0.012187 O\n0.344478 0.389052 0.520978 O\n0.139973 0.183252 0.019365 O\n0.647688 0.198175 0.506676 O\n0.477902 0.040909 0.094094 O\n0.957998 0.039153 0.594112 O\n0.876080 0.381367 0.347366 O\n0.398497 0.387655 0.845604 O\n0.142387 0.690075 0.199096 O\n0.641902 0.698499 0.699370 O\n0.336268 0.299246 0.306044 O\n0.829274 0.285631 0.799199 O\n0.610194 0.588975 0.139877 O\n0.084214 0.590688 0.646201 O\n0.740850 0.662156 0.467207 O\n0.203102 0.657750 0.990024 O\n0.628390 0.956920 0.320964 O\n0.118332 0.969951 0.830550 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Li",
"Ti",
"V",
"O"
],
"chemical_system": "Li-O-Ti-V",
"density": 3.567346505419193,
"density_atomic": 0.08450424773031479,
"volume": 473.3489862859347,
"volume_molar": 7.126435560043021,
"formula_full": "Li4 Ti2 V10 O24",
"formula_reduced": "Li2TiV5O12",
"formula_anonymous": "AB2C5D12",
"energy": -336.17084771,
"energy_per_atom": -8.404271192749999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -302.68284771,
"band_gap": 1.0517,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 1.9883505,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.222000Z",
"spacegroup": 1
},
{
"id": "mp-1262781",
"created_at": "2022-09-04T14:39:08.017534Z",
"structure_string": "Zn6 Fe4 Si8 O28\n1.0\n3.902670 8.239095 0.000000\n-3.902670 8.239095 0.000000\n0.000000 5.314108 8.346359\nZn Fe Si O\n6 4 8 28\ndirect\n0.058099 0.280490 0.097601 Zn\n0.719510 0.941901 0.402399 Zn\n0.280490 0.058099 0.597601 Zn\n0.394480 0.605520 0.750000 Zn\n0.941901 0.719510 0.902399 Zn\n0.605520 0.394480 0.250000 Zn\n0.794338 0.205662 0.750000 Fe\n0.205662 0.794338 0.250000 Fe\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.530873 0.100977 0.709427 Si\n0.100977 0.530873 0.209427 Si\n0.518489 0.241829 0.102647 Si\n0.241829 0.518489 0.602647 Si\n0.899023 0.469127 0.790573 Si\n0.481511 0.758171 0.897353 Si\n0.758171 0.481511 0.397353 Si\n0.469127 0.899023 0.290573 Si\n0.834015 0.300284 0.330200 O\n0.956945 0.882607 0.416589 O\n0.458650 0.639394 0.087112 O\n0.882607 0.956945 0.916589 O\n0.251692 0.944106 0.323017 O\n0.059115 0.505487 0.625805 O\n0.639394 0.458650 0.587112 O\n0.055894 0.748308 0.176983 O\n0.940885 0.494513 0.374195 O\n0.633775 0.675821 0.266964 O\n0.043055 0.117393 0.583411 O\n0.748308 0.055894 0.676983 O\n0.494513 0.940885 0.874195 O\n0.300284 0.834015 0.830200 O\n0.675821 0.633775 0.766964 O\n0.944106 0.251692 0.823017 O\n0.903631 0.506460 0.933888 O\n0.366225 0.324179 0.733036 O\n0.493540 0.096369 0.566112 O\n0.324179 0.366225 0.233036 O\n0.505487 0.059115 0.125805 O\n0.117393 0.043055 0.083411 O\n0.506460 0.903631 0.433888 O\n0.541350 0.360606 0.912888 O\n0.096369 0.493540 0.066112 O\n0.360606 0.541350 0.412888 O\n0.699716 0.165985 0.169800 O\n0.165985 0.699716 0.669800 O\n",
"nsites": 46,
"nelements": 4,
"elements": [
"Zn",
"Fe",
"Si",
"O"
],
"chemical_system": "Fe-O-Si-Zn",
"density": 3.9862591370561966,
"density_atomic": 0.08570169956568797,
"volume": 536.7454815145443,
"volume_molar": 7.0268626999447035,
"formula_full": "Zn6 Fe4 Si8 O28",
"formula_reduced": "Zn3Fe2(Si2O7)2",
"formula_anonymous": "A2B3C4D14",
"energy": -336.18016845,
"energy_per_atom": -7.308264531521739,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -307.92016845,
"band_gap": 2.0757,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.0022644,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.235000Z",
"spacegroup": 15
}
]
}