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=is_magnetic&page=12136",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_magnetic&page=12134",
"results": [
{
"id": "mp-772407",
"created_at": "2022-09-04T14:46:24.407680Z",
"structure_string": "Li12 V6 P16 O58\n1.0\n9.789407 0.000000 0.000000\n4.864983 8.509280 0.000000\n0.106944 0.033977 13.964129\nLi V P O\n12 6 16 58\ndirect\n0.097961 0.666259 0.558454 Li\n0.328186 0.329482 0.889473 Li\n0.224873 0.691400 0.063424 Li\n0.690013 0.087368 0.063279 Li\n0.338640 0.765736 0.437942 Li\n0.668133 0.236835 0.559155 Li\n0.314024 0.911770 0.938596 Li\n0.776900 0.316739 0.945256 Li\n0.903050 0.336309 0.436846 Li\n0.765361 0.902104 0.439179 Li\n0.907697 0.775323 0.943647 Li\n0.031495 0.020536 0.500557 Li\n0.433885 0.566772 0.250613 V\n0.564593 0.433793 0.750881 V\n0.428739 0.001344 0.745237 V\n0.562291 0.998613 0.251590 V\n0.000455 0.430996 0.247221 V\n0.998396 0.563105 0.748139 V\n0.087605 0.226706 0.837990 P\n0.220023 0.083776 0.338662 P\n0.086245 0.683463 0.341867 P\n0.336094 0.331719 0.130096 P\n0.332487 0.336436 0.629931 P\n0.227974 0.678712 0.843338 P\n0.315024 0.770367 0.658489 P\n0.677993 0.089469 0.843340 P\n0.318540 0.912908 0.154410 P\n0.685383 0.226206 0.343208 P\n0.769219 0.320733 0.159741 P\n0.666862 0.667184 0.372430 P\n0.664313 0.667471 0.870216 P\n0.915092 0.310446 0.653039 P\n0.772187 0.915390 0.657625 P\n0.911818 0.769166 0.158732 P\n0.988145 0.225954 0.561005 O\n0.078589 0.253354 0.339788 O\n0.249634 0.990991 0.062029 O\n0.254823 0.079093 0.840371 O\n0.111669 0.372161 0.824415 O\n0.190841 0.328916 0.173583 O\n0.085878 0.528241 0.330285 O\n0.003934 0.754211 0.068608 O\n0.076284 0.668283 0.845814 O\n0.322172 0.195920 0.673410 O\n0.377246 0.083647 0.332606 O\n0.186180 0.493154 0.671081 O\n0.341339 0.330740 0.022673 O\n0.336562 0.346052 0.523533 O\n0.331898 0.484907 0.167387 O\n0.512561 0.109839 0.825723 O\n0.488665 0.183014 0.170297 O\n0.256131 0.657317 0.341201 O\n0.208638 0.788474 0.751868 O\n0.223283 0.777954 0.569782 O\n0.251049 0.751789 0.931689 O\n0.368900 0.511039 0.825118 O\n0.487857 0.327297 0.672523 O\n0.334354 0.746493 0.161921 O\n0.529003 0.378602 0.330352 O\n0.664560 0.080856 0.343423 O\n0.200174 0.009428 0.240627 O\n0.206849 0.989541 0.419946 O\n0.771252 0.004776 0.568704 O\n0.341623 0.912538 0.662244 O\n0.470597 0.615594 0.668285 O\n0.662960 0.253618 0.846842 O\n0.510831 0.678971 0.334169 O\n0.619033 0.480938 0.179208 O\n0.752994 0.245889 0.070507 O\n0.776947 0.225012 0.430830 O\n0.791745 0.206912 0.249198 O\n0.747781 0.332976 0.662520 O\n0.515838 0.814399 0.830251 O\n0.480155 0.897929 0.176233 O\n0.662592 0.517269 0.829133 O\n0.674045 0.662297 0.976577 O\n0.667577 0.674363 0.479370 O\n0.810642 0.511904 0.332841 O\n0.619193 0.910881 0.672728 O\n0.677515 0.812719 0.329464 O\n0.913003 0.343813 0.160367 O\n0.014206 0.200294 0.741293 O\n0.988698 0.239656 0.921867 O\n0.913977 0.467271 0.665636 O\n0.816442 0.662725 0.824501 O\n0.895831 0.623495 0.178414 O\n0.750023 0.919038 0.158882 O\n0.754472 0.995040 0.932051 O\n0.788608 0.003459 0.751435 O\n0.917453 0.749972 0.657679 O\n0.000291 0.774223 0.430677 O\n0.004700 0.789621 0.248480 O\n",
"nsites": 92,
"nelements": 4,
"elements": [
"Li",
"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 2.587383477712938,
"density_atomic": 0.07909058280868282,
"volume": 1163.22318957422,
"volume_molar": 7.614232372730563,
"formula_full": "Li12 V6 P16 O58",
"formula_reduced": "Li6V3P8O29",
"formula_anonymous": "A3B6C8D29",
"energy": -695.5699825600001,
"energy_per_atom": -7.560543288695653,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -645.52398256,
"band_gap": 1.1338,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0001149,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:34.254000Z",
"spacegroup": 1
},
{
"id": "mp-769078",
"created_at": "2022-09-04T14:46:24.543016Z",
"structure_string": "Na2 Li3 Ti3 Al1 P6 O24\n1.0\n7.633845 -4.362247 0.000000\n7.633845 4.362247 0.000000\n5.141104 0.000000 7.132590\nNa Li Ti Al P O\n2 3 3 1 6 24\ndirect\n0.004651 0.004651 0.004651 Na\n0.496293 0.496293 0.496293 Na\n0.656065 0.241166 0.847677 Li\n0.241166 0.847677 0.656065 Li\n0.847677 0.656065 0.241166 Li\n0.649283 0.649283 0.649283 Ti\n0.142863 0.142863 0.142863 Ti\n0.358083 0.358083 0.358083 Ti\n0.849782 0.849782 0.849782 Al\n0.241266 0.542010 0.964933 P\n0.964933 0.241266 0.542010 P\n0.542010 0.964933 0.241266 P\n0.461554 0.043258 0.750166 P\n0.043258 0.750166 0.461554 P\n0.750166 0.461554 0.043258 P\n0.069844 0.727595 0.936264 O\n0.407719 0.572549 0.775838 O\n0.210702 0.371807 0.993938 O\n0.133012 0.273907 0.516299 O\n0.936264 0.069844 0.727595 O\n0.775838 0.407719 0.572549 O\n0.516299 0.133012 0.273907 O\n0.572549 0.775838 0.407719 O\n0.630433 0.005032 0.793650 O\n0.278616 0.063994 0.918604 O\n0.273907 0.516299 0.133012 O\n0.005032 0.793650 0.630433 O\n0.993938 0.210702 0.371807 O\n0.706150 0.482982 0.881209 O\n0.727595 0.936264 0.069844 O\n0.371807 0.993938 0.210702 O\n0.445059 0.225037 0.580724 O\n0.482982 0.881209 0.706150 O\n0.225037 0.580724 0.445059 O\n0.063994 0.918604 0.278616 O\n0.881209 0.706150 0.482982 O\n0.793650 0.630433 0.005032 O\n0.580724 0.445059 0.225037 O\n0.918604 0.278616 0.063994 O\n",
"nsites": 39,
"nelements": 6,
"elements": [
"Na",
"Li",
"Ti",
"Al",
"P",
"O"
],
"chemical_system": "Al-Li-Na-O-P-Ti",
"density": 2.8216720267346913,
"density_atomic": 0.08209822370199246,
"volume": 475.0407285493255,
"volume_molar": 7.335287523223048,
"formula_full": "Na2 Li3 Ti3 Al1 P6 O24",
"formula_reduced": "Na2Li3Ti3Al(PO4)6",
"formula_anonymous": "AB2C3D3E6F24",
"energy": -299.68714794,
"energy_per_atom": -7.684285844615384,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -283.19914794,
"band_gap": 0.0697999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9982348,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:35.494000Z",
"spacegroup": 146
},
{
"id": "mp-1022103",
"created_at": "2022-09-04T14:46:24.666180Z",
"structure_string": "Mg12 V2 Co2\n1.0\n4.855420 0.000000 0.000000\n0.000000 5.857581 0.000000\n0.000000 0.000000 10.739090\nMg V Co\n12 2 2\ndirect\n0.500000 0.250561 0.421028 Mg\n0.500000 0.749439 0.421028 Mg\n0.000000 0.752852 0.085090 Mg\n0.000000 0.247148 0.085090 Mg\n0.000000 0.000000 0.318444 Mg\n0.000000 0.500000 0.324495 Mg\n0.500000 0.750561 0.921028 Mg\n0.500000 0.249439 0.921028 Mg\n0.000000 0.252852 0.585090 Mg\n0.000000 0.747148 0.585090 Mg\n0.000000 0.500000 0.818444 Mg\n0.000000 0.000000 0.824495 Mg\n0.500000 0.500000 0.173000 V\n0.500000 0.000000 0.673000 V\n0.500000 0.000000 0.171821 Co\n0.500000 0.500000 0.671821 Co\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"V",
"Co"
],
"chemical_system": "Co-Mg-V",
"density": 2.780386733016082,
"density_atomic": 0.05238505387394851,
"volume": 305.43062986057026,
"volume_molar": 11.495914033973834,
"formula_full": "Mg12 V2 Co2",
"formula_reduced": "Mg6VCo",
"formula_anonymous": "ABC6",
"energy": -47.28324569,
"energy_per_atom": -2.955202855625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.28324569,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.4408675,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:36.316000Z",
"spacegroup": 38
},
{
"id": "mp-1187361",
"created_at": "2022-09-04T14:46:42.566756Z",
"structure_string": "Tb2 Mg6\n1.0\n3.351566 -5.805082 0.000000\n3.351566 5.805082 0.000000\n0.000000 0.000000 5.185462\nTb Mg\n2 6\ndirect\n0.666667 0.333333 0.250000 Tb\n0.333333 0.666667 0.750000 Tb\n0.162954 0.325908 0.250000 Mg\n0.674092 0.837046 0.250000 Mg\n0.162954 0.837046 0.250000 Mg\n0.837046 0.162954 0.750000 Mg\n0.325908 0.162954 0.750000 Mg\n0.837046 0.674092 0.750000 Mg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tb",
"Mg"
],
"chemical_system": "Mg-Tb",
"density": 3.815878432647705,
"density_atomic": 0.03964755410763307,
"volume": 201.77789475441602,
"volume_molar": 15.189186055844486,
"formula_full": "Tb2 Mg6",
"formula_reduced": "TbMg3",
"formula_anonymous": "AB3",
"energy": -19.41706284,
"energy_per_atom": -2.427132855,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.41706284,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.3888038,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:43.927000Z",
"spacegroup": 194
},
{
"id": "mp-779101",
"created_at": "2022-09-04T14:46:24.401269Z",
"structure_string": "Li2 Fe2 P2 C2 O14\n1.0\n6.430133 0.000000 0.000000\n0.000000 5.202948 0.000000\n0.000000 0.864404 8.410943\nLi Fe P C O\n2 2 2 2 14\ndirect\n0.250000 0.771757 0.111507 Li\n0.750000 0.228243 0.888493 Li\n0.750000 0.800589 0.334090 Fe\n0.250000 0.199411 0.665910 Fe\n0.250000 0.734894 0.423639 P\n0.750000 0.265106 0.576361 P\n0.750000 0.702457 0.044096 C\n0.250000 0.297543 0.955904 C\n0.750000 0.943496 0.068959 O\n0.250000 0.385291 0.089516 O\n0.750000 0.539346 0.172331 O\n0.062550 0.800529 0.310547 O\n0.437450 0.800529 0.310547 O\n0.750000 0.117351 0.428058 O\n0.250000 0.443362 0.481173 O\n0.750000 0.556638 0.518827 O\n0.250000 0.882649 0.571942 O\n0.562550 0.199471 0.689453 O\n0.937450 0.199471 0.689453 O\n0.250000 0.460654 0.827669 O\n0.750000 0.614709 0.910484 O\n0.250000 0.056504 0.931041 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Li",
"Fe",
"P",
"C",
"O"
],
"chemical_system": "C-Fe-Li-O-P",
"density": 2.570132766210754,
"density_atomic": 0.07818231928366345,
"volume": 281.3935452615435,
"volume_molar": 7.702688811456574,
"formula_full": "Li2 Fe2 P2 C2 O14",
"formula_reduced": "LiFePCO7",
"formula_anonymous": "ABCDE7",
"energy": -164.82146627999998,
"energy_per_atom": -7.49188483090909,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -150.69146628,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0002792,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:37.913000Z",
"spacegroup": 11
},
{
"id": "mp-4664",
"created_at": "2022-09-04T14:46:24.413286Z",
"structure_string": "Mn1 Ge1 Rh2\n1.0\n0.000000 3.046579 3.046579\n3.046579 0.000000 3.046579\n3.046579 3.046579 0.000000\nMn Ge Rh\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Ge\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Ge",
"Rh"
],
"chemical_system": "Ge-Mn-Rh",
"density": 9.788882021494958,
"density_atomic": 0.07072820936494521,
"volume": 56.554520974236716,
"volume_molar": 8.514482148030647,
"formula_full": "Mn1 Ge1 Rh2",
"formula_reduced": "MnGeRh2",
"formula_anonymous": "ABC2",
"energy": -30.26585746,
"energy_per_atom": -7.566464365,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.26585746,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.7379798,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:35.211000Z",
"spacegroup": 225
},
{
"id": "mp-728306",
"created_at": "2022-09-04T14:46:24.445123Z",
"structure_string": "Na8 Co8 P24 H64 O80\n1.0\n9.174876 0.000000 0.000000\n0.000000 14.919746 0.000000\n0.000000 0.000000 14.956054\nNa Co P H O\n8 8 24 64 80\ndirect\n0.062369 0.658010 0.068366 Na\n0.562369 0.841990 0.931634 Na\n0.937631 0.158010 0.431634 Na\n0.437631 0.341990 0.568366 Na\n0.937631 0.341990 0.931634 Na\n0.437631 0.158010 0.068366 Na\n0.062369 0.841990 0.568366 Na\n0.562369 0.658010 0.431634 Na\n0.948258 0.840822 0.953557 Co\n0.448258 0.659178 0.046443 Co\n0.051742 0.340822 0.546443 Co\n0.551742 0.159178 0.453557 Co\n0.051742 0.159178 0.046443 Co\n0.551742 0.340822 0.953557 Co\n0.948258 0.659178 0.453557 Co\n0.448258 0.840822 0.546443 Co\n0.726165 0.531142 0.990671 P\n0.226165 0.968858 0.009329 P\n0.273835 0.031142 0.509329 P\n0.773835 0.468858 0.490671 P\n0.273835 0.468858 0.009329 P\n0.773835 0.031142 0.990671 P\n0.726165 0.968858 0.490671 P\n0.226165 0.531142 0.509329 P\n0.235910 0.722487 0.881877 P\n0.735910 0.777513 0.118123 P\n0.764090 0.222487 0.618123 P\n0.264090 0.277514 0.381877 P\n0.764090 0.277514 0.118123 P\n0.264090 0.222487 0.881877 P\n0.235910 0.777513 0.381877 P\n0.735910 0.722487 0.618123 P\n0.965132 0.528896 0.262428 P\n0.465132 0.971104 0.737572 P\n0.034868 0.028896 0.237572 P\n0.534868 0.471104 0.762428 P\n0.034868 0.471104 0.737572 P\n0.534868 0.028896 0.262428 P\n0.965132 0.971104 0.762428 P\n0.465132 0.528896 0.237572 P\n0.752691 0.544696 0.082181 H\n0.252691 0.955304 0.917819 H\n0.247309 0.044696 0.417819 H\n0.747309 0.455304 0.582181 H\n0.247309 0.455304 0.917819 H\n0.747309 0.044696 0.082181 H\n0.752691 0.955304 0.582181 H\n0.252691 0.544696 0.417819 H\n0.226886 0.637669 0.841075 H\n0.726886 0.862331 0.158925 H\n0.773114 0.137669 0.658925 H\n0.273114 0.362331 0.341075 H\n0.773114 0.362331 0.158925 H\n0.273114 0.137669 0.841075 H\n0.226886 0.862331 0.341075 H\n0.726886 0.637669 0.658925 H\n0.811200 0.529767 0.265060 H\n0.311200 0.970233 0.734940 H\n0.188800 0.029767 0.234940 H\n0.688800 0.470233 0.765060 H\n0.188800 0.470233 0.734940 H\n0.688800 0.029767 0.265060 H\n0.811200 0.970233 0.765060 H\n0.311200 0.529767 0.234940 H\n0.915286 0.534025 0.896880 H\n0.415286 0.965975 0.103120 H\n0.084714 0.034025 0.603120 H\n0.584714 0.465975 0.396880 H\n0.084714 0.465975 0.103120 H\n0.584714 0.034025 0.896880 H\n0.915286 0.965975 0.396880 H\n0.415286 0.534025 0.603120 H\n0.147862 0.833595 0.802605 H\n0.647862 0.666405 0.197395 H\n0.852138 0.333595 0.697395 H\n0.352138 0.166405 0.302605 H\n0.852138 0.166405 0.197395 H\n0.352138 0.333595 0.802605 H\n0.147862 0.666405 0.302605 H\n0.647862 0.833595 0.697395 H\n0.974846 0.420120 0.360817 H\n0.474846 0.079880 0.639183 H\n0.025154 0.920120 0.139183 H\n0.525154 0.579880 0.860817 H\n0.025154 0.579880 0.639183 H\n0.525154 0.920120 0.360817 H\n0.974846 0.079880 0.860817 H\n0.474846 0.420120 0.139183 H\n0.297742 0.735320 0.184748 H\n0.797742 0.764680 0.815252 H\n0.702258 0.235320 0.315252 H\n0.202258 0.264680 0.684748 H\n0.702258 0.264680 0.815252 H\n0.202258 0.235320 0.184748 H\n0.297742 0.764680 0.684748 H\n0.797742 0.735320 0.315252 H\n0.303388 0.801921 0.101744 H\n0.803388 0.698079 0.898256 H\n0.696612 0.301921 0.398256 H\n0.196612 0.198079 0.601744 H\n0.696612 0.198079 0.898256 H\n0.196612 0.301921 0.101744 H\n0.303388 0.698079 0.601744 H\n0.803388 0.801921 0.398256 H\n0.865873 0.575027 0.943909 O\n0.365873 0.924973 0.056091 O\n0.134127 0.075027 0.556091 O\n0.634127 0.424973 0.443909 O\n0.134127 0.424973 0.056091 O\n0.634127 0.075027 0.943909 O\n0.865873 0.924973 0.443909 O\n0.365873 0.575027 0.556091 O\n0.590950 0.585111 0.964880 O\n0.090950 0.914889 0.035120 O\n0.409050 0.085111 0.535120 O\n0.909050 0.414889 0.464880 O\n0.409050 0.414889 0.035120 O\n0.909050 0.085111 0.964880 O\n0.590950 0.914889 0.464880 O\n0.090950 0.585111 0.535120 O\n0.722492 0.431245 0.969849 O\n0.222492 0.068755 0.030151 O\n0.277508 0.931245 0.530151 O\n0.777508 0.568755 0.469849 O\n0.277508 0.568755 0.030151 O\n0.777508 0.931245 0.969849 O\n0.722492 0.068755 0.469849 O\n0.222492 0.431245 0.530151 O\n0.236346 0.791133 0.799320 O\n0.736346 0.708867 0.200680 O\n0.763654 0.291133 0.700680 O\n0.263654 0.208867 0.299320 O\n0.763654 0.208867 0.200680 O\n0.263654 0.291133 0.799320 O\n0.236346 0.708867 0.299320 O\n0.736346 0.791133 0.700680 O\n0.098967 0.738256 0.937025 O\n0.598967 0.761744 0.062975 O\n0.901033 0.238256 0.562975 O\n0.401033 0.261744 0.437025 O\n0.901033 0.261744 0.062975 O\n0.401033 0.238256 0.937025 O\n0.098967 0.761744 0.437025 O\n0.598967 0.738256 0.562975 O\n0.381240 0.729616 0.929936 O\n0.881240 0.770384 0.070064 O\n0.618760 0.229616 0.570064 O\n0.118760 0.270384 0.429936 O\n0.618760 0.270384 0.070064 O\n0.118760 0.229616 0.929936 O\n0.381240 0.770384 0.429936 O\n0.881240 0.729616 0.570064 O\n0.009695 0.432195 0.297885 O\n0.509695 0.067805 0.702115 O\n0.990305 0.932195 0.202115 O\n0.490305 0.567805 0.797885 O\n0.990305 0.567805 0.702115 O\n0.490305 0.932195 0.297885 O\n0.009695 0.067805 0.797885 O\n0.509695 0.432195 0.202115 O\n0.018885 0.536826 0.166990 O\n0.518885 0.963174 0.833010 O\n0.981115 0.036826 0.333010 O\n0.481115 0.463174 0.666990 O\n0.981115 0.463174 0.833010 O\n0.481115 0.036826 0.166990 O\n0.018885 0.963174 0.666990 O\n0.518885 0.536826 0.333010 O\n0.017987 0.603447 0.325497 O\n0.517987 0.896553 0.674503 O\n0.982013 0.103447 0.174503 O\n0.482013 0.396553 0.825497 O\n0.982013 0.396553 0.674503 O\n0.482013 0.103447 0.325497 O\n0.017987 0.896553 0.825497 O\n0.517987 0.603447 0.174503 O\n0.290295 0.738730 0.118965 O\n0.790295 0.761270 0.881035 O\n0.709705 0.238731 0.381035 O\n0.209705 0.261269 0.618965 O\n0.709705 0.261269 0.881035 O\n0.209705 0.238731 0.118965 O\n0.290295 0.761270 0.618965 O\n0.790295 0.738730 0.381035 O\n",
"nsites": 184,
"nelements": 5,
"elements": [
"Na",
"Co",
"P",
"H",
"O"
],
"chemical_system": "Co-H-Na-O-P",
"density": 2.2250007113148054,
"density_atomic": 0.08987505423828016,
"volume": 2047.286664352627,
"volume_molar": 6.700569820001301,
"formula_full": "Na8 Co8 P24 H64 O80",
"formula_reduced": "NaCoP3(H4O5)2",
"formula_anonymous": "ABC3D8E10",
"energy": -1123.0452291200002,
"energy_per_atom": -6.103506680000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1054.98122912,
"band_gap": 1.1794999999999998,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 23.9989315,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:32.483000Z",
"spacegroup": 61
},
{
"id": "mp-780197",
"created_at": "2022-09-04T14:46:24.471601Z",
"structure_string": "Li4 Mn6 B6 O18\n1.0\n5.266761 0.000000 0.000000\n-0.200713 8.250173 0.000000\n-2.590244 -2.353387 8.606168\nLi Mn B O\n4 6 6 18\ndirect\n0.681826 0.294374 0.040831 Li\n0.337659 0.957424 0.361177 Li\n0.662341 0.042576 0.638823 Li\n0.318174 0.705626 0.959169 Li\n0.789989 0.034034 0.215316 Mn\n0.880798 0.633492 0.120494 Mn\n0.550544 0.311156 0.443643 Mn\n0.449456 0.688844 0.556357 Mn\n0.119202 0.366508 0.879506 Mn\n0.210011 0.965966 0.784684 Mn\n0.222475 0.144331 0.104020 B\n0.437425 0.523399 0.222209 B\n0.106400 0.174251 0.554097 B\n0.893600 0.825749 0.445903 B\n0.562575 0.476601 0.777791 B\n0.777525 0.855669 0.895980 B\n0.964870 0.161718 0.100190 O\n0.684458 0.825477 0.016740 O\n0.250384 0.570220 0.102483 O\n0.407197 0.104321 0.228324 O\n0.682249 0.490073 0.209112 O\n0.367591 0.499802 0.349985 O\n0.904249 0.203146 0.432906 O\n0.969595 0.846445 0.316925 O\n0.359476 0.153185 0.546323 O\n0.640524 0.846815 0.453677 O\n0.030405 0.153555 0.683075 O\n0.095751 0.796854 0.567094 O\n0.632409 0.500198 0.650015 O\n0.317751 0.509927 0.790888 O\n0.592803 0.895679 0.771676 O\n0.749616 0.429780 0.897517 O\n0.315542 0.174523 0.983260 O\n0.035130 0.838282 0.899810 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Li",
"Mn",
"B",
"O"
],
"chemical_system": "B-Li-Mn-O",
"density": 3.1538592423865826,
"density_atomic": 0.09092062886884283,
"volume": 373.95253885723287,
"volume_molar": 6.623514195757723,
"formula_full": "Li4 Mn6 B6 O18",
"formula_reduced": "Li2Mn3(BO3)3",
"formula_anonymous": "A2B3C3D9",
"energy": -274.94531806000003,
"energy_per_atom": -8.086627001764708,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -252.57131806,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 28.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:33.590000Z",
"spacegroup": 2
},
{
"id": "mp-5700",
"created_at": "2022-09-04T14:46:24.799272Z",
"structure_string": "Sr2 Cu3 O5\n1.0\n-1.729867 1.975810 9.349472\n1.729867 -1.975810 9.349472\n1.729867 1.975810 -9.349472\nSr Cu O\n2 3 5\ndirect\n0.394225 0.394225 0.000000 Sr\n0.605775 0.605775 0.000000 Sr\n0.000000 0.000000 0.000000 Cu\n0.787938 0.787938 0.000000 Cu\n0.212062 0.212062 0.000000 Cu\n0.103833 0.103833 0.000000 O\n0.896167 0.896167 0.000000 O\n0.500000 0.000000 0.500000 O\n0.280824 0.780824 0.500000 O\n0.719176 0.219176 0.500000 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sr",
"Cu",
"O"
],
"chemical_system": "Cu-O-Sr",
"density": 5.792382731368131,
"density_atomic": 0.07823390895687538,
"volume": 127.82181196534954,
"volume_molar": 7.697609438535871,
"formula_full": "Sr2 Cu3 O5",
"formula_reduced": "Sr2Cu3O5",
"formula_anonymous": "A2B3C5",
"energy": -58.294174520000006,
"energy_per_atom": -5.829417452,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -54.85917452000001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.3796935,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:36.865000Z",
"spacegroup": 71
},
{
"id": "mp-27022",
"created_at": "2022-09-04T14:46:24.802406Z",
"structure_string": "V4 P10 O32\n1.0\n6.817825 0.000000 0.000000\n0.000000 5.135157 0.000000\n0.000000 0.300788 19.070115\nV P O\n4 10 32\ndirect\n0.818578 0.748953 0.906514 V\n0.818578 0.251047 0.593486 V\n0.181422 0.748953 0.406514 V\n0.181422 0.251047 0.093486 V\n0.125328 0.245351 0.923933 P\n0.535899 0.253402 0.869136 P\n0.725683 0.000000 0.750000 P\n0.535899 0.746598 0.630864 P\n0.125328 0.754649 0.576067 P\n0.874672 0.245351 0.423933 P\n0.464101 0.253402 0.369136 P\n0.274317 0.000000 0.250000 P\n0.464101 0.746598 0.130864 P\n0.874672 0.754649 0.076067 P\n0.213415 0.320775 0.994482 O\n0.038651 0.972590 0.924304 O\n0.632080 0.047566 0.914540 O\n0.585945 0.532956 0.883621 O\n0.989553 0.452538 0.892654 O\n0.304611 0.226075 0.868516 O\n0.840601 0.848798 0.804037 O\n0.577416 0.197643 0.787457 O\n0.577416 0.802357 0.712543 O\n0.840601 0.151202 0.695963 O\n0.304611 0.773925 0.631484 O\n0.989553 0.547462 0.607346 O\n0.585945 0.467044 0.616379 O\n0.632080 0.952434 0.585460 O\n0.038651 0.027410 0.575696 O\n0.213415 0.679225 0.505518 O\n0.786585 0.320775 0.494482 O\n0.961349 0.972590 0.424304 O\n0.367920 0.047566 0.414540 O\n0.414055 0.532956 0.383621 O\n0.010447 0.452538 0.392654 O\n0.695389 0.226075 0.368516 O\n0.159399 0.848798 0.304037 O\n0.422584 0.197643 0.287457 O\n0.422584 0.802357 0.212543 O\n0.159399 0.151202 0.195963 O\n0.695389 0.773925 0.131484 O\n0.010447 0.547462 0.107346 O\n0.414055 0.467044 0.116379 O\n0.367920 0.952434 0.085460 O\n0.961349 0.027410 0.075696 O\n0.786585 0.679225 0.005518 O\n",
"nsites": 46,
"nelements": 3,
"elements": [
"V",
"P",
"O"
],
"chemical_system": "O-P-V",
"density": 2.550499697892106,
"density_atomic": 0.068897734881255,
"volume": 667.6562020403259,
"volume_molar": 8.740694843421396,
"formula_full": "V4 P10 O32",
"formula_reduced": "V2P5O16",
"formula_anonymous": "A2B5C16",
"energy": -370.11040725,
"energy_per_atom": -8.04587841847826,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -341.32640725,
"band_gap": 0.1989,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0002325,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:32.980000Z",
"spacegroup": 13
},
{
"id": "mp-1216700",
"created_at": "2022-09-04T14:46:24.811333Z",
"structure_string": "V10 Si3 Ge3\n1.0\n3.599132 -6.233879 0.000000\n3.599132 6.233879 0.000000\n0.000000 0.000000 4.895534\nV Si Ge\n10 3 3\ndirect\n0.666667 0.333333 0.755147 V\n0.333333 0.666667 0.755147 V\n0.333333 0.666667 0.244853 V\n0.666667 0.333333 0.244853 V\n0.750742 0.750742 0.500000 V\n0.249258 0.000000 0.500000 V\n0.000000 0.249258 0.500000 V\n0.245799 0.245799 0.000000 V\n0.754201 0.000000 0.000000 V\n0.000000 0.754201 0.000000 V\n0.609445 0.609445 0.000000 Si\n0.390555 0.000000 0.000000 Si\n0.000000 0.390555 0.000000 Si\n0.392872 0.392872 0.500000 Ge\n0.607128 0.000000 0.500000 Ge\n0.000000 0.607128 0.500000 Ge\n",
"nsites": 16,
"nelements": 3,
"elements": [
"V",
"Si",
"Ge"
],
"chemical_system": "Ge-Si-V",
"density": 6.13479955389085,
"density_atomic": 0.0728339347283616,
"volume": 219.67781995676785,
"volume_molar": 8.268317210184957,
"formula_full": "V10 Si3 Ge3",
"formula_reduced": "V10(SiGe)3",
"formula_anonymous": "A3B3C10",
"energy": -127.6114573,
"energy_per_atom": -7.97571608125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -127.6114573,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.3136195,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:35.438000Z",
"spacegroup": 189
},
{
"id": "mp-697834",
"created_at": "2022-09-04T14:46:24.818092Z",
"structure_string": "Ca4 La4 Mn7 Ni1 O24\n1.0\n5.476861 0.000000 0.000000\n0.006685 9.454734 0.000000\n0.011929 3.125136 8.934727\nCa La Mn Ni O\n4 4 7 1 24\ndirect\n0.468253 0.619732 0.133849 Ca\n0.533233 0.879299 0.367335 Ca\n0.969415 0.880384 0.871674 Ca\n0.968179 0.381159 0.369980 Ca\n0.020095 0.623012 0.624046 La\n0.022482 0.120670 0.127185 La\n0.477772 0.123613 0.629001 La\n0.522429 0.376303 0.872376 La\n0.001048 0.001835 0.499688 Mn\n0.999975 0.502946 0.004054 Mn\n0.499900 0.752058 0.751978 Mn\n0.500146 0.251940 0.251722 Mn\n0.499314 0.991438 0.000589 Mn\n0.500909 0.504540 0.496408 Mn\n0.001226 0.747630 0.247767 Mn\n0.000852 0.248391 0.748086 Ni\n0.011865 0.159866 0.581325 O\n0.021764 0.667304 0.084703 O\n0.234244 0.086498 0.874912 O\n0.215485 0.590376 0.368803 O\n0.223768 0.882974 0.661003 O\n0.221414 0.379431 0.157589 O\n0.281163 0.388134 0.649967 O\n0.278900 0.088960 0.368985 O\n0.272506 0.594116 0.863171 O\n0.276365 0.880979 0.163333 O\n0.490777 0.664999 0.585674 O\n0.493953 0.156571 0.091302 O\n0.520137 0.832752 0.917595 O\n0.514456 0.341032 0.410664 O\n0.719096 0.113027 0.852360 O\n0.728094 0.906069 0.634987 O\n0.724629 0.619713 0.338191 O\n0.721201 0.408627 0.129204 O\n0.770697 0.615258 0.841898 O\n0.774475 0.116945 0.344969 O\n0.761818 0.409563 0.628778 O\n0.778840 0.905611 0.134511 O\n0.994436 0.346571 0.911990 O\n0.984683 0.839671 0.408349 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Ca",
"La",
"Mn",
"Ni",
"O"
],
"chemical_system": "Ca-La-Mn-Ni-O",
"density": 5.538639977107418,
"density_atomic": 0.08645650402934739,
"volume": 462.66039147757033,
"volume_molar": 6.965515003886583,
"formula_full": "Ca4 La4 Mn7 Ni1 O24",
"formula_reduced": "Ca4La4Mn7NiO24",
"formula_anonymous": "AB4C4D7E24",
"energy": -325.1692262,
"energy_per_atom": -8.129230655,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -294.4642262,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 25.0082133,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:39.932000Z",
"spacegroup": 1
}
]
}