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=total_magnetization&page=10386",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=total_magnetization&page=10384",
"results": [
{
"id": "mp-772644",
"created_at": "2022-09-04T14:45:52.644211Z",
"structure_string": "Li24 Cr4 B12 O36\n1.0\n16.608051 0.000000 0.000000\n0.000000 6.498994 0.000000\n0.000000 1.659592 6.787442\nLi Cr B O\n24 4 12 36\ndirect\n0.006823 0.324615 0.069774 Li\n0.445640 0.400203 0.138214 Li\n0.493177 0.824615 0.069774 Li\n0.538675 0.050021 0.312617 Li\n0.054360 0.900203 0.138214 Li\n0.298037 0.377656 0.274447 Li\n0.961325 0.550021 0.312617 Li\n0.709330 0.050757 0.400842 Li\n0.043763 0.164167 0.457422 Li\n0.201963 0.877656 0.274447 Li\n0.790670 0.550757 0.400842 Li\n0.456237 0.664167 0.457422 Li\n0.543763 0.335833 0.542578 Li\n0.209330 0.449243 0.599158 Li\n0.798037 0.122344 0.725553 Li\n0.956237 0.835833 0.542578 Li\n0.290670 0.949243 0.599158 Li\n0.038675 0.449979 0.687383 Li\n0.701963 0.622344 0.725553 Li\n0.945640 0.099797 0.861786 Li\n0.461325 0.949979 0.687383 Li\n0.506823 0.175385 0.930226 Li\n0.554360 0.599797 0.861786 Li\n0.993177 0.675385 0.930226 Li\n0.806300 0.332196 0.055409 Cr\n0.693700 0.832196 0.055409 Cr\n0.306300 0.167804 0.944591 Cr\n0.193700 0.667804 0.944591 Cr\n0.637370 0.350458 0.081216 B\n0.862630 0.850458 0.081216 B\n0.127950 0.505979 0.278042 B\n0.888551 0.191380 0.424807 B\n0.372050 0.005979 0.278042 B\n0.611449 0.691380 0.424807 B\n0.388551 0.308620 0.575193 B\n0.627950 0.994021 0.721958 B\n0.111449 0.808620 0.575193 B\n0.872050 0.494021 0.721958 B\n0.137370 0.149542 0.918784 B\n0.362630 0.649542 0.918784 B\n0.335555 0.444178 0.994220 O\n0.417404 0.050617 0.105135 O\n0.556563 0.314064 0.107482 O\n0.695027 0.190153 0.109250 O\n0.164445 0.944178 0.994220 O\n0.082596 0.550617 0.105135 O\n0.291584 0.068564 0.245622 O\n0.943437 0.814064 0.107482 O\n0.804973 0.690153 0.109250 O\n0.951362 0.258009 0.299179 O\n0.208416 0.568564 0.245622 O\n0.548638 0.758009 0.299179 O\n0.809460 0.244704 0.359015 O\n0.403012 0.427906 0.386947 O\n0.599563 0.082201 0.538098 O\n0.099563 0.417799 0.461902 O\n0.690540 0.744704 0.359015 O\n0.903012 0.072094 0.613053 O\n0.096988 0.927906 0.386947 O\n0.309460 0.255296 0.640985 O\n0.900437 0.582201 0.538098 O\n0.400437 0.917799 0.461902 O\n0.596988 0.572094 0.613053 O\n0.190540 0.755296 0.640985 O\n0.451362 0.241991 0.700821 O\n0.791584 0.431436 0.754378 O\n0.048638 0.741991 0.700821 O\n0.195027 0.309847 0.890750 O\n0.056563 0.185936 0.892518 O\n0.708416 0.931436 0.754378 O\n0.917404 0.449383 0.894865 O\n0.835555 0.055822 0.005780 O\n0.304973 0.809847 0.890750 O\n0.443437 0.685936 0.892518 O\n0.582596 0.949383 0.894865 O\n0.664445 0.555822 0.005780 O\n",
"nsites": 76,
"nelements": 4,
"elements": [
"Li",
"Cr",
"B",
"O"
],
"chemical_system": "B-Cr-Li-O",
"density": 2.448578396776745,
"density_atomic": 0.10373914277507959,
"volume": 732.60678628103,
"volume_molar": 5.805080511467895,
"formula_full": "Li24 Cr4 B12 O36",
"formula_reduced": "Li6Cr(BO3)3",
"formula_anonymous": "AB3C6D9",
"energy": -534.58139647,
"energy_per_atom": -7.033965743026315,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -501.85339647,
"band_gap": 2.3399,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 11.9994334,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:17.556000Z",
"spacegroup": 14
},
{
"id": "mp-757955",
"created_at": "2022-09-04T14:42:56.526421Z",
"structure_string": "Li9 Mn3 P6 O24\n1.0\n7.156163 -4.494760 0.000000\n7.156163 4.494760 0.000000\n4.333020 0.000000 7.255237\nLi Mn P O\n9 3 6 24\ndirect\n0.826815 0.298073 0.644958 Li\n0.746942 0.346443 0.149790 Li\n0.346443 0.149790 0.746942 Li\n0.997419 0.997419 0.997419 Li\n0.508770 0.508770 0.508770 Li\n0.650906 0.650906 0.650906 Li\n0.644958 0.826815 0.298073 Li\n0.298073 0.644958 0.826815 Li\n0.149790 0.746942 0.346443 Li\n0.144807 0.144807 0.144807 Mn\n0.355574 0.355574 0.355574 Mn\n0.853856 0.853856 0.853856 Mn\n0.747561 0.051505 0.446137 P\n0.949985 0.549160 0.248070 P\n0.549160 0.248070 0.949985 P\n0.446137 0.747561 0.051505 P\n0.051505 0.446137 0.747561 P\n0.248070 0.949985 0.549160 P\n0.904876 0.073516 0.252850 O\n0.741257 0.098498 0.928897 O\n0.895635 0.470709 0.687878 O\n0.023141 0.608064 0.805622 O\n0.599174 0.247149 0.424734 O\n0.390092 0.176422 0.990793 O\n0.306881 0.112632 0.521855 O\n0.765227 0.553868 0.403458 O\n0.928897 0.741257 0.098498 O\n0.176422 0.990793 0.390092 O\n0.521855 0.306881 0.112632 O\n0.553868 0.403458 0.765227 O\n0.424734 0.599174 0.247149 O\n0.470709 0.687878 0.895635 O\n0.805622 0.023141 0.608064 O\n0.247149 0.424734 0.599174 O\n0.073516 0.252850 0.904876 O\n0.608064 0.805622 0.023141 O\n0.687878 0.895635 0.470709 O\n0.403458 0.765227 0.553868 O\n0.990793 0.390092 0.176422 O\n0.112632 0.521855 0.306881 O\n0.252850 0.904876 0.073516 O\n0.098498 0.928897 0.741257 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 2.835957617994919,
"density_atomic": 0.08998724575565341,
"volume": 466.73280915880645,
"volume_molar": 6.69221589062988,
"formula_full": "Li9 Mn3 P6 O24",
"formula_reduced": "Li3Mn(PO4)2",
"formula_anonymous": "AB2C3D8",
"energy": -302.09976806000003,
"energy_per_atom": -7.192851620476191,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -280.60776806,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.9994365,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:00.856000Z",
"spacegroup": 146
},
{
"id": "mp-26519",
"created_at": "2022-09-04T14:46:34.480978Z",
"structure_string": "Li12 Mo4 P8 O32\n1.0\n18.306867 0.000000 0.000000\n0.000000 5.045733 0.000000\n0.000000 0.279231 6.335641\nLi Mo P O\n12 4 8 32\ndirect\n0.299439 0.186362 0.186076 Li\n0.116245 0.220743 0.500657 Li\n0.616245 0.279257 0.999343 Li\n0.444256 0.210613 0.786133 Li\n0.944256 0.289387 0.713867 Li\n0.799439 0.313638 0.313924 Li\n0.200561 0.686362 0.686076 Li\n0.055744 0.710613 0.286133 Li\n0.555744 0.789387 0.213867 Li\n0.383755 0.720743 0.000657 Li\n0.883755 0.779257 0.499343 Li\n0.700561 0.813638 0.813924 Li\n0.126649 0.195073 0.982951 Mo\n0.626649 0.304927 0.517049 Mo\n0.373351 0.695073 0.482951 Mo\n0.873351 0.804927 0.017049 Mo\n0.715338 0.826999 0.292709 P\n0.535520 0.781873 0.733202 P\n0.035520 0.718127 0.766798 P\n0.215338 0.673001 0.207291 P\n0.284662 0.173001 0.707291 P\n0.464480 0.218127 0.266798 P\n0.964480 0.281873 0.233202 P\n0.784662 0.326999 0.792709 P\n0.201626 0.979078 0.181949 O\n0.691659 0.960508 0.499365 O\n0.673264 0.942793 0.102739 O\n0.441407 0.916339 0.262301 O\n0.798374 0.020922 0.818051 O\n0.308341 0.039492 0.500635 O\n0.326736 0.057207 0.897261 O\n0.558593 0.083661 0.737699 O\n0.934853 0.134052 0.428523 O\n0.200101 0.114070 0.728097 O\n0.936176 0.159491 0.027585 O\n0.550657 0.210763 0.267870 O\n0.050657 0.289237 0.232130 O\n0.436176 0.340509 0.472415 O\n0.434853 0.365948 0.071477 O\n0.700101 0.385930 0.771903 O\n0.058593 0.416339 0.762301 O\n0.826736 0.442793 0.602739 O\n0.808341 0.460508 0.999365 O\n0.298374 0.479078 0.681949 O\n0.701626 0.520922 0.318051 O\n0.191659 0.539492 0.000635 O\n0.173264 0.557207 0.397261 O\n0.941407 0.583661 0.237699 O\n0.299899 0.614070 0.228097 O\n0.565147 0.634052 0.928523 O\n0.563824 0.659491 0.527585 O\n0.949343 0.710763 0.767870 O\n0.449343 0.789237 0.732130 O\n0.063824 0.840509 0.972415 O\n0.799899 0.885930 0.271903 O\n0.065147 0.865948 0.571477 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Li",
"Mo",
"P",
"O"
],
"chemical_system": "Li-Mo-O-P",
"density": 3.4809847235178384,
"density_atomic": 0.09568837389532985,
"volume": 585.2330614506673,
"volume_molar": 6.293492631181515,
"formula_full": "Li12 Mo4 P8 O32",
"formula_reduced": "Li3Mo(PO4)2",
"formula_anonymous": "AB2C3D8",
"energy": -412.98201356,
"energy_per_atom": -7.374678813571428,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -378.19001356,
"band_gap": 3.9361,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.9994371,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:37.622000Z",
"spacegroup": 14
},
{
"id": "mp-759520",
"created_at": "2022-09-04T14:39:58.584285Z",
"structure_string": "V8 O4 F20\n1.0\n-5.175913 0.001508 -0.001349\n-2.586598 -4.690536 -0.009094\n2.592451 -0.907822 16.968856\nV O F\n8 4 20\ndirect\n0.724495 0.639312 0.119696 V\n0.763178 0.141833 0.622721 V\n0.490927 0.271647 0.254152 V\n0.507146 0.772892 0.752950 V\n0.258708 0.850722 0.371594 V\n0.277832 0.350829 0.871674 V\n0.032163 0.981622 0.001875 V\n0.994644 0.483661 0.505143 V\n0.911551 0.330447 0.580352 O\n0.411335 0.794299 0.044762 O\n0.440557 0.560917 0.312934 O\n0.451754 0.062968 0.812004 O\n0.922676 0.835424 0.087142 F\n0.970140 0.314248 0.062599 F\n0.977293 0.808929 0.561831 F\n0.532059 0.934501 0.190495 F\n0.917367 0.039701 0.287914 F\n0.930238 0.542859 0.787841 F\n0.576180 0.408267 0.163478 F\n0.581043 0.914670 0.661689 F\n0.569300 0.714738 0.462518 F\n0.531270 0.439863 0.688344 F\n0.419917 0.082122 0.337694 F\n0.422756 0.283182 0.536957 F\n0.436773 0.581462 0.837608 F\n0.583234 0.205033 0.963309 F\n0.067679 0.662644 0.414566 F\n0.071345 0.456643 0.209614 F\n0.076993 0.959380 0.711692 F\n0.034436 0.684187 0.936269 F\n0.020602 0.186872 0.434751 F\n0.073501 0.166353 0.913215 F\n",
"nsites": 32,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.4314400034611987,
"density_atomic": 0.0776593640730579,
"volume": 412.05591086087264,
"volume_molar": 7.754558425606837,
"formula_full": "V8 O4 F20",
"formula_reduced": "V2OF5",
"formula_anonymous": "AB2C5",
"energy": -227.10778053,
"energy_per_atom": -7.0971181415625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -201.51978053,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.999438,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.279000Z",
"spacegroup": 5
},
{
"id": "mp-26239",
"created_at": "2022-09-04T14:43:21.827626Z",
"structure_string": "Li4 Mo4 P8 O28\n1.0\n4.243197 12.746437 0.000000\n-4.243197 12.746437 0.000000\n0.000000 12.849828 4.931166\nLi Mo P O\n4 4 8 28\ndirect\n0.911349 0.630063 0.612506 Li\n0.630063 0.911349 0.112506 Li\n0.369937 0.088651 0.887494 Li\n0.088651 0.369937 0.387494 Li\n0.734232 0.757130 0.370080 Mo\n0.242870 0.265768 0.129920 Mo\n0.757130 0.734232 0.870080 Mo\n0.265768 0.242870 0.629920 Mo\n0.267376 0.617613 0.479805 P\n0.160214 0.739044 0.672473 P\n0.260956 0.839786 0.827527 P\n0.617613 0.267376 0.979805 P\n0.732624 0.382387 0.520195 P\n0.839786 0.260956 0.327527 P\n0.739044 0.160214 0.172473 P\n0.382387 0.732624 0.020195 P\n0.437949 0.774368 0.169725 O\n0.225632 0.562051 0.330275 O\n0.301267 0.930579 0.393750 O\n0.044940 0.715326 0.554286 O\n0.562051 0.225632 0.830275 O\n0.774368 0.437949 0.669725 O\n0.698733 0.069421 0.606250 O\n0.955060 0.284674 0.445714 O\n0.592496 0.184248 0.365976 O\n0.680468 0.614397 0.399439 O\n0.734090 0.406116 0.382596 O\n0.806318 0.925329 0.291574 O\n0.074671 0.193682 0.208426 O\n0.815752 0.407504 0.134024 O\n0.593884 0.265910 0.117404 O\n0.069421 0.698733 0.106250 O\n0.385603 0.319532 0.100561 O\n0.715326 0.044940 0.054286 O\n0.284674 0.955060 0.945714 O\n0.614397 0.680468 0.899439 O\n0.930579 0.301267 0.893750 O\n0.406116 0.734090 0.882596 O\n0.184248 0.592496 0.865976 O\n0.925329 0.806318 0.791574 O\n0.193682 0.074671 0.708426 O\n0.265910 0.593884 0.617404 O\n0.319532 0.385603 0.600561 O\n0.407504 0.815752 0.634024 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Li",
"Mo",
"P",
"O"
],
"chemical_system": "Li-Mo-O-P",
"density": 3.447082831805349,
"density_atomic": 0.08248805417421888,
"volume": 533.4105700574511,
"volume_molar": 7.300621672176844,
"formula_full": "Li4 Mo4 P8 O28",
"formula_reduced": "LiMoP2O7",
"formula_anonymous": "ABC2D7",
"energy": -345.80382484,
"energy_per_atom": -7.8591778372727275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -313.75982484,
"band_gap": 3.7149,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 11.9994432,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:16.957000Z",
"spacegroup": 15
},
{
"id": "mp-772083",
"created_at": "2022-09-04T14:46:19.357482Z",
"structure_string": "Li3 Nb1 Co4 O8\n1.0\n3.053367 5.188371 0.000000\n-3.053367 5.188371 0.000000\n0.000000 3.601878 4.952835\nLi Nb Co O\n3 1 4 8\ndirect\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.000000 Nb\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.500000 0.500000 Co\n0.740213 0.740213 0.759651 O\n0.266394 0.741400 0.233236 O\n0.741400 0.266394 0.233236 O\n0.259787 0.259787 0.240349 O\n0.250015 0.250015 0.731455 O\n0.733606 0.258600 0.766764 O\n0.258600 0.733606 0.766764 O\n0.749985 0.749985 0.268545 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Nb",
"Co",
"O"
],
"chemical_system": "Co-Li-Nb-O",
"density": 5.052307827136994,
"density_atomic": 0.10195912416851867,
"volume": 156.92563201656284,
"volume_molar": 5.90642653034815,
"formula_full": "Li3 Nb1 Co4 O8",
"formula_reduced": "Li3Nb(CoO2)4",
"formula_anonymous": "AB3C4D8",
"energy": -114.94542124,
"energy_per_atom": -7.1840888275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -102.89742124,
"band_gap": 1.3723999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.9994518,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:26.142000Z",
"spacegroup": 12
},
{
"id": "mp-1517301",
"created_at": "2022-09-04T14:46:04.454717Z",
"structure_string": "Ca1 Eu1 Mn1 W1 O6\n1.0\n0.000000 -4.055697 -4.055697\n4.055697 0.000000 -4.055697\n4.055697 -4.055697 0.000000\nCa Eu Mn W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Eu\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 W\n0.739613 0.260387 0.260387 O\n0.260387 0.739613 0.739613 O\n0.739613 0.260387 0.739613 O\n0.260387 0.739613 0.260387 O\n0.739613 0.739613 0.260387 O\n0.260387 0.260387 0.739613 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ca",
"Eu",
"Mn",
"W",
"O"
],
"chemical_system": "Ca-Eu-Mn-O-W",
"density": 6.55664878251964,
"density_atomic": 0.07495032144613688,
"volume": 133.42170930096023,
"volume_molar": 8.034843138501836,
"formula_full": "Ca1 Eu1 Mn1 W1 O6",
"formula_reduced": "CaEuMnWO6",
"formula_anonymous": "ABCDE6",
"energy": -90.56383147999998,
"energy_per_atom": -9.056383147999998,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.33583148,
"band_gap": 0.2839999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.9994527,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:20.732000Z",
"spacegroup": 216
},
{
"id": "mp-15866",
"created_at": "2022-09-04T14:45:08.168430Z",
"structure_string": "Sr4 V12 P16 O68\n1.0\n7.640089 0.000000 0.000000\n0.000000 10.201972 0.000000\n0.000000 0.000000 16.535756\nSr V P O\n4 12 16 68\ndirect\n0.994125 0.563141 0.821184 Sr\n0.494125 0.936859 0.178816 Sr\n0.005875 0.063141 0.678816 Sr\n0.505875 0.436859 0.321184 Sr\n0.217170 0.676836 0.650394 V\n0.717170 0.823164 0.349606 V\n0.782830 0.176836 0.849606 V\n0.282830 0.323164 0.150394 V\n0.211364 0.752104 0.996906 V\n0.711364 0.747896 0.003094 V\n0.788636 0.252104 0.503094 V\n0.288636 0.247896 0.496906 V\n0.718014 0.674614 0.652443 V\n0.218014 0.825386 0.347557 V\n0.281986 0.174614 0.847557 V\n0.781986 0.325386 0.152443 V\n0.295135 0.940298 0.539238 P\n0.795135 0.559702 0.460762 P\n0.704865 0.440298 0.960762 P\n0.204865 0.059702 0.039238 P\n0.304828 0.862090 0.812417 P\n0.804828 0.637910 0.187583 P\n0.695172 0.362090 0.687583 P\n0.195172 0.137910 0.312417 P\n0.290615 0.437760 0.961033 P\n0.790615 0.062240 0.038967 P\n0.709385 0.937760 0.538967 P\n0.209385 0.562240 0.461033 P\n0.303092 0.363907 0.689261 P\n0.803092 0.136093 0.310739 P\n0.696908 0.863907 0.810739 P\n0.196908 0.636093 0.189261 P\n0.497885 0.437571 0.965921 O\n0.997885 0.062429 0.034079 O\n0.502115 0.937571 0.534079 O\n0.002115 0.562429 0.465921 O\n0.500122 0.373007 0.722484 O\n0.000122 0.126993 0.277516 O\n0.499878 0.873007 0.777516 O\n0.999878 0.626993 0.222484 O\n0.238019 0.862183 0.614472 O\n0.738019 0.637817 0.385528 O\n0.761981 0.362183 0.885528 O\n0.261981 0.137817 0.114472 O\n0.213469 0.750515 0.766104 O\n0.713469 0.749485 0.233896 O\n0.786531 0.250515 0.733896 O\n0.286531 0.249485 0.266104 O\n0.276564 0.613050 0.541348 O\n0.776564 0.886950 0.458652 O\n0.723436 0.113050 0.958652 O\n0.223436 0.386950 0.041348 O\n0.219843 0.496291 0.711277 O\n0.719843 0.003709 0.288723 O\n0.780157 0.996291 0.788723 O\n0.280157 0.503709 0.211277 O\n0.003682 0.775594 0.976643 O\n0.316486 0.834419 0.901814 O\n0.683514 0.334419 0.598186 O\n0.183514 0.165581 0.401814 O\n0.228598 0.577260 0.939865 O\n0.728598 0.922740 0.060135 O\n0.771402 0.077260 0.560135 O\n0.271402 0.422740 0.439865 O\n0.996438 0.330056 0.163320 O\n0.496438 0.169944 0.836680 O\n0.003562 0.830056 0.336680 O\n0.503562 0.669944 0.663320 O\n0.718162 0.251299 0.264266 O\n0.218162 0.248701 0.735734 O\n0.281838 0.751299 0.235734 O\n0.781838 0.748701 0.764266 O\n0.497166 0.331813 0.145283 O\n0.997166 0.168187 0.854717 O\n0.502834 0.831813 0.354717 O\n0.002834 0.668187 0.645283 O\n0.736825 0.144314 0.112953 O\n0.236825 0.355686 0.887047 O\n0.263175 0.644314 0.387047 O\n0.763175 0.855686 0.612953 O\n0.721376 0.503515 0.206521 O\n0.221376 0.996485 0.793479 O\n0.278624 0.003515 0.293479 O\n0.778624 0.496485 0.706521 O\n0.773949 0.388761 0.039947 O\n0.273949 0.111239 0.960053 O\n0.226051 0.888761 0.460053 O\n0.726051 0.611239 0.539947 O\n0.304296 0.340834 0.599317 O\n0.804296 0.159166 0.400683 O\n0.695704 0.840834 0.900683 O\n0.195704 0.659166 0.099317 O\n0.238813 0.082123 0.559163 O\n0.738813 0.417877 0.440837 O\n0.761187 0.582123 0.940837 O\n0.261187 0.917877 0.059163 O\n0.496318 0.224406 0.476643 O\n0.996318 0.275594 0.523357 O\n0.503682 0.724406 0.023357 O\n0.816486 0.665581 0.098186 O\n",
"nsites": 100,
"nelements": 4,
"elements": [
"Sr",
"V",
"P",
"O"
],
"chemical_system": "O-P-Sr-V",
"density": 3.2793248667859602,
"density_atomic": 0.07758779323336343,
"volume": 1288.8625366522106,
"volume_molar": 7.761711616010271,
"formula_full": "Sr4 V12 P16 O68",
"formula_reduced": "SrV3P4O17",
"formula_anonymous": "AB3C4D17",
"energy": -812.7843841699998,
"energy_per_atom": -8.127843841699999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -745.66838417,
"band_gap": 1.8247,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 11.9994593,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:47.598000Z",
"spacegroup": 19
},
{
"id": "mp-1212013",
"created_at": "2022-09-04T14:45:35.705113Z",
"structure_string": "K8 Co4 O12\n1.0\n2.923785 -5.748661 0.000000\n2.923785 5.748661 0.000000\n0.000000 0.000000 12.807335\nK Co O\n8 4 12\ndirect\n0.635449 0.364551 0.424013 K\n0.364551 0.635449 0.575987 K\n0.864551 0.135449 0.924013 K\n0.135449 0.864551 0.075987 K\n0.942377 0.057623 0.360124 K\n0.057623 0.942377 0.639876 K\n0.557623 0.442377 0.860124 K\n0.442377 0.557623 0.139876 K\n0.756595 0.243405 0.167340 Co\n0.243405 0.756595 0.832660 Co\n0.743405 0.256595 0.667340 Co\n0.256595 0.743405 0.332660 Co\n0.665246 0.334754 0.056251 O\n0.334754 0.665246 0.943749 O\n0.834754 0.165246 0.556251 O\n0.165246 0.834754 0.443749 O\n0.906279 0.093721 0.137679 O\n0.093721 0.906279 0.862321 O\n0.593721 0.406279 0.637679 O\n0.406279 0.593721 0.362321 O\n0.966821 0.533179 0.250000 O\n0.033179 0.466821 0.750000 O\n0.533179 0.966821 0.750000 O\n0.466821 0.033179 0.250000 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"K",
"Co",
"O"
],
"chemical_system": "Co-K-O",
"density": 2.8561452421330027,
"density_atomic": 0.055745567876127694,
"volume": 430.5275004701797,
"volume_molar": 10.80290503700995,
"formula_full": "K8 Co4 O12",
"formula_reduced": "K2CoO3",
"formula_anonymous": "AB2C3",
"energy": -131.30348929,
"energy_per_atom": -5.470978720416666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -116.50748929,
"band_gap": 0.1251999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.9994664,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:06.993000Z",
"spacegroup": 64
},
{
"id": "mp-29203",
"created_at": "2022-09-04T14:43:15.743790Z",
"structure_string": "La6 Co6 O16\n1.0\n5.432514 0.000000 0.000000\n0.000000 5.655171 0.000000\n0.000000 0.075032 11.764397\nLa Co O\n6 6 16\ndirect\n0.249798 0.250992 0.498781 La\n0.749798 0.749008 0.501219 La\n0.255783 0.268443 0.188742 La\n0.755783 0.731557 0.811258 La\n0.252711 0.267125 0.807468 La\n0.752711 0.732875 0.192532 La\n0.250407 0.750225 0.664341 Co\n0.750407 0.249775 0.335659 Co\n0.250140 0.758026 0.332496 Co\n0.750140 0.241974 0.667504 Co\n0.298504 0.812102 0.002398 Co\n0.798504 0.187898 0.997602 Co\n0.007577 0.000892 0.306599 O\n0.507577 0.999108 0.693401 O\n0.495388 0.997623 0.307294 O\n0.995388 0.002377 0.692706 O\n0.249648 0.829965 0.491793 O\n0.749648 0.170035 0.508207 O\n0.007499 0.509348 0.355548 O\n0.507499 0.490652 0.644452 O\n0.497764 0.514243 0.355790 O\n0.997764 0.485757 0.644210 O\n0.230926 0.676608 0.853427 O\n0.730926 0.323392 0.146573 O\n0.169928 0.142529 0.999636 O\n0.669928 0.857471 0.000364 O\n0.740928 0.311794 0.841436 O\n0.240928 0.688206 0.158564 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"La",
"Co",
"O"
],
"chemical_system": "Co-La-O",
"density": 6.629883539084245,
"density_atomic": 0.07747146414269823,
"volume": 361.4234003429381,
"volume_molar": 7.77336639579645,
"formula_full": "La6 Co6 O16",
"formula_reduced": "La3Co3O8",
"formula_anonymous": "A3B3C8",
"energy": -223.03889019,
"energy_per_atom": -7.965674649642857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -202.21889019,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.9994675,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:03.313000Z",
"spacegroup": 4
},
{
"id": "mp-1226150",
"created_at": "2022-09-04T14:42:16.318934Z",
"structure_string": "K2 Na2 Ca4 Si16 O48\n1.0\n24.019519 0.000000 0.000000\n0.000000 6.836784 0.000000\n0.000000 0.007011 7.088658\nK Na Ca Si O\n2 2 4 16 48\ndirect\n0.756645 0.917931 0.250999 K\n0.256645 0.082069 0.749001 K\n0.502888 0.471393 0.489840 Na\n0.002888 0.528607 0.510160 Na\n0.495638 0.947314 0.247652 Ca\n0.995638 0.052686 0.752348 Ca\n0.512968 0.040333 0.758546 Ca\n0.012968 0.959667 0.241454 Ca\n0.896016 0.435302 0.753726 Si\n0.396016 0.564698 0.246274 Si\n0.891495 0.788722 0.474413 Si\n0.891034 0.790101 0.029930 Si\n0.391495 0.211278 0.525587 Si\n0.391034 0.209899 0.970070 Si\n0.688589 0.044608 0.752816 Si\n0.188589 0.955392 0.247184 Si\n0.614154 0.431236 0.752431 Si\n0.114154 0.568764 0.247569 Si\n0.621114 0.783065 0.473362 Si\n0.620500 0.787356 0.030855 Si\n0.121114 0.216935 0.526638 Si\n0.120500 0.212644 0.969145 Si\n0.822797 0.047684 0.753370 Si\n0.322797 0.952316 0.246630 Si\n0.640575 0.763019 0.252134 O\n0.140575 0.236981 0.747866 O\n0.629729 0.567373 0.566879 O\n0.622267 0.567954 0.940566 O\n0.129729 0.432627 0.433121 O\n0.122267 0.432046 0.059434 O\n0.669183 0.932509 0.559719 O\n0.673520 0.914402 0.939679 O\n0.169183 0.067491 0.440281 O\n0.173520 0.085598 0.060321 O\n0.872287 0.771962 0.252728 O\n0.372287 0.228038 0.747272 O\n0.558650 0.867768 0.499345 O\n0.562347 0.899726 0.009169 O\n0.058650 0.132232 0.500655 O\n0.062347 0.100274 0.990831 O\n0.755581 0.064299 0.742396 O\n0.255581 0.935701 0.257604 O\n0.979935 0.292147 0.290287 O\n0.479935 0.707853 0.709713 O\n0.662776 0.261885 0.765069 O\n0.162776 0.738115 0.234931 O\n0.553917 0.336251 0.728521 O\n0.053917 0.663749 0.271479 O\n0.802924 0.347704 0.296880 O\n0.302924 0.652296 0.703120 O\n0.634206 0.259547 0.255606 O\n0.134206 0.740453 0.744394 O\n0.583224 0.270112 0.266008 O\n0.083224 0.729888 0.733992 O\n0.957069 0.345194 0.732982 O\n0.457069 0.654806 0.267018 O\n0.954382 0.864631 0.503863 O\n0.949633 0.896545 0.998319 O\n0.454382 0.135369 0.496137 O\n0.449633 0.103455 0.001681 O\n0.843090 0.937241 0.560911 O\n0.837955 0.919693 0.941302 O\n0.343090 0.062759 0.439089 O\n0.337955 0.080307 0.058698 O\n0.881771 0.572502 0.567786 O\n0.886873 0.569467 0.943064 O\n0.381771 0.427498 0.432214 O\n0.386873 0.430533 0.056936 O\n0.847143 0.266993 0.763606 O\n0.347143 0.733007 0.236394 O\n0.773422 0.468704 0.377663 O\n0.273422 0.531296 0.622337 O\n",
"nsites": 72,
"nelements": 5,
"elements": [
"K",
"Na",
"Ca",
"Si",
"O"
],
"chemical_system": "Ca-K-Na-O-Si",
"density": 2.1423425521495734,
"density_atomic": 0.06185179491970143,
"volume": 1164.0729277698956,
"volume_molar": 9.736404202688368,
"formula_full": "K2 Na2 Ca4 Si16 O48",
"formula_reduced": "KNaCa2(SiO3)8",
"formula_anonymous": "ABC2D8E24",
"energy": -513.14989525,
"energy_per_atom": -7.127081878472222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -505.42189525,
"band_gap": 0.4556,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.999468,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.238000Z",
"spacegroup": 4
},
{
"id": "mp-1175895",
"created_at": "2022-09-04T14:46:01.221874Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.073512 0.000000 0.000000\n-1.624516 -5.703056 0.000000\n-1.830931 0.474293 -9.993275\nLi Mn Co O\n9 2 5 16\ndirect\n0.494764 0.368005 0.127559 Li\n0.990837 0.248582 0.245025 Li\n0.007448 0.506934 0.002417 Li\n0.504498 0.123751 0.364833 Li\n0.002454 0.998165 0.499123 Li\n0.499718 0.871688 0.627908 Li\n0.998430 0.748409 0.751933 Li\n0.498761 0.630778 0.881245 Li\n0.499989 0.873666 0.123885 Li\n0.999171 0.995389 0.001155 Mn\n0.002291 0.501060 0.499700 Mn\n0.995678 0.761818 0.247172 Co\n0.496843 0.631200 0.366410 Co\n0.502207 0.374758 0.625729 Co\n0.999988 0.247751 0.750884 Co\n0.497772 0.117387 0.882885 Co\n0.226524 0.054891 0.176585 O\n0.761364 0.920922 0.312141 O\n0.753070 0.178256 0.046573 O\n0.242595 0.789135 0.442496 O\n0.755811 0.667636 0.553037 O\n0.234625 0.550145 0.678624 O\n0.740857 0.420805 0.799146 O\n0.232121 0.290104 0.938065 O\n0.775487 0.709843 0.059716 O\n0.253572 0.572234 0.203535 O\n0.234741 0.830266 0.938430 O\n0.767573 0.448089 0.323181 O\n0.250988 0.328883 0.452017 O\n0.766009 0.211250 0.561090 O\n0.254545 0.080621 0.698019 O\n0.759269 0.947576 0.819483 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.152064659147195,
"density_atomic": 0.11066895564045602,
"volume": 289.15064585919083,
"volume_molar": 5.441580906902995,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -208.58743962,
"energy_per_atom": -6.518357488125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -186.06943962,
"band_gap": 0.1688,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.9994724,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:20.332000Z",
"spacegroup": 1
}
]
}