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=formation_energy_per_atom&page=10138",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy_per_atom&page=10136",
"results": [
{
"id": "mp-1097997",
"created_at": "2022-09-04T14:39:46.594968Z",
"structure_string": "K6 Eu6 Ge12 O36\n1.0\n-4.311911 -5.543838 0.985731\n-4.311911 5.543838 0.985731\n0.002066 0.000000 -19.620142\nK Eu Ge O\n6 6 12 36\ndirect\n0.714187 0.924568 0.424922 K\n0.075432 0.285813 0.075078 K\n0.285813 0.075432 0.575078 K\n0.924568 0.714187 0.924922 K\n0.393730 0.606270 0.250000 K\n0.606270 0.393730 0.750000 K\n0.856162 0.143838 0.250000 Eu\n0.143838 0.856162 0.750000 Eu\n0.116259 0.530670 0.418643 Eu\n0.469330 0.883741 0.081357 Eu\n0.883741 0.469330 0.581357 Eu\n0.530670 0.116259 0.918643 Eu\n0.898530 0.634760 0.241609 Ge\n0.365240 0.101470 0.258391 Ge\n0.101470 0.365240 0.758391 Ge\n0.634760 0.898530 0.741609 Ge\n0.563319 0.386456 0.405214 Ge\n0.613544 0.436681 0.094786 Ge\n0.436681 0.613544 0.594786 Ge\n0.386456 0.563319 0.905214 Ge\n0.962827 0.802672 0.108164 Ge\n0.197328 0.037173 0.391836 Ge\n0.037173 0.197328 0.891836 Ge\n0.802672 0.962827 0.608164 Ge\n0.794799 0.818430 0.275699 O\n0.181570 0.205201 0.224301 O\n0.205201 0.181570 0.724301 O\n0.818430 0.794799 0.775699 O\n0.998289 0.501635 0.299481 O\n0.498365 0.001711 0.200519 O\n0.001711 0.498365 0.700519 O\n0.501635 0.998289 0.799481 O\n0.066882 0.721282 0.184652 O\n0.278718 0.933118 0.315348 O\n0.933118 0.278718 0.815348 O\n0.721282 0.066882 0.684652 O\n0.729785 0.420483 0.181988 O\n0.579517 0.270215 0.318012 O\n0.270215 0.579517 0.818012 O\n0.420483 0.729785 0.681988 O\n0.435092 0.567241 0.396107 O\n0.432759 0.564908 0.103893 O\n0.564908 0.432759 0.603893 O\n0.567241 0.435092 0.896107 O\n0.799776 0.463218 0.456130 O\n0.536782 0.200224 0.043870 O\n0.200224 0.536782 0.543870 O\n0.463218 0.799776 0.956130 O\n0.423382 0.195405 0.443625 O\n0.804595 0.576618 0.056375 O\n0.576618 0.804595 0.556375 O\n0.195405 0.423382 0.943625 O\n0.142999 0.889263 0.061102 O\n0.110737 0.857001 0.438898 O\n0.857001 0.110737 0.938898 O\n0.889263 0.142999 0.561102 O\n0.814978 0.965666 0.128256 O\n0.034334 0.185022 0.371744 O\n0.185022 0.034334 0.871744 O\n0.965666 0.814978 0.628256 O\n",
"nsites": 60,
"nelements": 4,
"elements": [
"K",
"Eu",
"Ge",
"O"
],
"chemical_system": "Eu-Ge-K-O",
"density": 4.592217546435321,
"density_atomic": 0.06396600737970556,
"volume": 937.9982033869469,
"volume_molar": 9.414595355705504,
"formula_full": "K6 Eu6 Ge12 O36",
"formula_reduced": "KEu(GeO3)2",
"formula_anonymous": "ABC2D6",
"energy": -448.97278188,
"energy_per_atom": -7.4828796980000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -424.24078188,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 36.0000015,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:42.659000Z",
"spacegroup": 15
},
{
"id": "mp-1003437",
"created_at": "2022-09-04T14:39:46.575493Z",
"structure_string": "K8 Mn16 O32\n1.0\n5.863508 0.000000 0.000000\n0.000000 9.820051 0.000000\n0.000000 6.356264 13.036004\nK Mn O\n8 16 32\ndirect\n0.874991 0.364867 0.375812 K\n0.374995 0.358121 0.364583 K\n0.125009 0.364867 0.875812 K\n0.625005 0.358121 0.864583 K\n0.874991 0.635133 0.124188 K\n0.374995 0.641879 0.135417 K\n0.625005 0.641879 0.635417 K\n0.125009 0.635133 0.624188 K\n0.874999 0.020944 0.582795 Mn\n0.374936 0.021070 0.582758 Mn\n0.874994 0.743668 0.322293 Mn\n0.375295 0.742636 0.323721 Mn\n0.375295 0.257364 0.176279 Mn\n0.874994 0.256332 0.177707 Mn\n0.374936 0.978930 0.917242 Mn\n0.874999 0.979056 0.917205 Mn\n0.625064 0.021070 0.082758 Mn\n0.125001 0.020944 0.082795 Mn\n0.624705 0.742636 0.823721 Mn\n0.125006 0.743668 0.822293 Mn\n0.624705 0.257364 0.676279 Mn\n0.125006 0.256332 0.677707 Mn\n0.625064 0.978930 0.417242 Mn\n0.125001 0.979056 0.417205 Mn\n0.625053 0.082238 0.827507 O\n0.124850 0.081940 0.827718 O\n0.625575 0.192428 0.113813 O\n0.124656 0.192996 0.113288 O\n0.625575 0.807572 0.386187 O\n0.124656 0.807004 0.386712 O\n0.625053 0.917762 0.672493 O\n0.124850 0.918060 0.672282 O\n0.374947 0.082238 0.327507 O\n0.875150 0.081940 0.327718 O\n0.374425 0.192428 0.613813 O\n0.875344 0.192996 0.613288 O\n0.875344 0.807004 0.886712 O\n0.374425 0.807572 0.886187 O\n0.875150 0.918060 0.172282 O\n0.374947 0.917762 0.172493 O\n0.874980 0.116526 0.982941 O\n0.375047 0.116479 0.982988 O\n0.375056 0.627487 0.802832 O\n0.874642 0.627357 0.803013 O\n0.375047 0.883521 0.517012 O\n0.874980 0.883474 0.517059 O\n0.874642 0.372643 0.696987 O\n0.375056 0.372513 0.697168 O\n0.624953 0.116479 0.482988 O\n0.125020 0.116526 0.482941 O\n0.624944 0.627487 0.302832 O\n0.125358 0.627357 0.303013 O\n0.624953 0.883521 0.017012 O\n0.125020 0.883474 0.017059 O\n0.624944 0.372513 0.197168 O\n0.125358 0.372643 0.196987 O\n",
"nsites": 56,
"nelements": 3,
"elements": [
"K",
"Mn",
"O"
],
"chemical_system": "K-Mn-O",
"density": 3.7691708440983795,
"density_atomic": 0.07460574588068973,
"volume": 750.612427219155,
"volume_molar": 8.071953023069655,
"formula_full": "K8 Mn16 O32",
"formula_reduced": "KMn2O4",
"formula_anonymous": "AB2C4",
"energy": -423.00336733,
"energy_per_atom": -7.553631559464286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -374.33136733,
"band_gap": 0.9200000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 56.0027029,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.916000Z",
"spacegroup": 13
},
{
"id": "mp-757174",
"created_at": "2022-09-04T14:39:46.583359Z",
"structure_string": "Li3 Mn6 F18\n1.0\n4.433914 -7.679765 0.000000\n4.433914 7.679765 0.000000\n0.000000 0.000000 4.677660\nLi Mn F\n3 6 18\ndirect\n0.333333 0.666667 0.485608 Li\n0.000000 0.000000 0.000000 Li\n0.666667 0.333333 0.514392 Li\n0.000000 0.644057 0.000000 Mn\n0.000000 0.313391 0.500000 Mn\n0.355943 0.355943 0.000000 Mn\n0.313391 0.000000 0.500000 Mn\n0.686609 0.686609 0.500000 Mn\n0.644057 0.000000 0.000000 Mn\n0.114676 0.891087 0.753660 F\n0.211797 0.768494 0.267437 F\n0.105347 0.523854 0.728743 F\n0.418506 0.894653 0.728743 F\n0.108913 0.223590 0.753660 F\n0.231506 0.443302 0.267437 F\n0.556698 0.788203 0.267437 F\n0.223590 0.108913 0.246340 F\n0.476146 0.581494 0.728743 F\n0.443302 0.231506 0.732563 F\n0.776410 0.885324 0.753660 F\n0.581494 0.476146 0.271257 F\n0.523854 0.105347 0.271257 F\n0.885324 0.776410 0.246340 F\n0.788203 0.556698 0.732563 F\n0.768494 0.211797 0.732563 F\n0.894653 0.418506 0.271257 F\n0.891087 0.114676 0.246340 F\n",
"nsites": 27,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.60932876817188,
"density_atomic": 0.0847558962726501,
"volume": 318.5619076358306,
"volume_molar": 7.105276476137372,
"formula_full": "Li3 Mn6 F18",
"formula_reduced": "LiMn2F6",
"formula_anonymous": "AB2C6",
"energy": -174.26043384000002,
"energy_per_atom": -6.454090142222223,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -155.93643384,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 26.9999886,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.396000Z",
"spacegroup": 150
},
{
"id": "mp-1522128",
"created_at": "2022-09-04T14:39:46.585234Z",
"structure_string": "Sr1 Ca1 Tb1 Nb1 O6\n1.0\n0.000000 -4.217702 -4.217702\n4.217702 -0.000000 -4.217702\n4.217702 -4.217702 0.000000\nSr Ca Tb Nb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 -0.000000 Nb\n0.762499 0.237501 0.237501 O\n0.237501 0.762499 0.762499 O\n0.762499 0.237501 0.762499 O\n0.237501 0.762499 0.237501 O\n0.762499 0.762499 0.237501 O\n0.237501 0.237501 0.762499 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Tb",
"Nb",
"O"
],
"chemical_system": "Ca-Nb-O-Sr-Tb",
"density": 5.262181377190279,
"density_atomic": 0.06664112646983619,
"volume": 150.05748746648672,
"volume_molar": 9.03667311615119,
"formula_full": "Sr1 Ca1 Tb1 Nb1 O6",
"formula_reduced": "SrCaTbNbO6",
"formula_anonymous": "ABCDE6",
"energy": -81.33015724,
"energy_per_atom": -8.133015724,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.20815724,
"band_gap": 2.865,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.445000Z",
"spacegroup": 216
},
{
"id": "mp-776519",
"created_at": "2022-09-04T14:39:46.586542Z",
"structure_string": "Li4 Ti3 V2 Ni3 O16\n1.0\n2.948827 5.139923 0.000000\n-2.948827 5.139923 0.000000\n0.000000 0.014718 9.579498\nLi Ti V Ni O\n4 3 2 3 16\ndirect\n0.667531 0.667531 0.097277 Li\n0.993902 0.993902 0.015037 Li\n0.998513 0.998513 0.504047 Li\n0.336106 0.336106 0.594668 Li\n0.349249 0.846396 0.777543 Ti\n0.846396 0.349249 0.777543 Ti\n0.181979 0.181979 0.263593 Ti\n0.665896 0.665896 0.497595 V\n0.355481 0.355481 0.013522 V\n0.829181 0.829181 0.791773 Ni\n0.167505 0.658038 0.291908 Ni\n0.658038 0.167505 0.291908 Ni\n0.355081 0.822500 0.414161 O\n0.519874 0.519874 0.662980 O\n0.654656 0.654656 0.895882 O\n0.001019 0.001019 0.695997 O\n0.005986 0.005986 0.205834 O\n0.822500 0.355081 0.414161 O\n0.509471 0.962152 0.656237 O\n0.962152 0.509471 0.656237 O\n0.164595 0.164595 0.898999 O\n0.822055 0.822055 0.417330 O\n0.035425 0.474287 0.147590 O\n0.474287 0.035425 0.147590 O\n0.320701 0.320701 0.394576 O\n0.175533 0.648442 0.911644 O\n0.478172 0.478172 0.144876 O\n0.648442 0.175533 0.911644 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Ti",
"V",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O-Ti-V",
"density": 4.033255922120453,
"density_atomic": 0.09642271974540113,
"volume": 290.38799231065514,
"volume_molar": 6.245562016816296,
"formula_full": "Li4 Ti3 V2 Ni3 O16",
"formula_reduced": "Li4Ti3V2Ni3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -215.32058602,
"energy_per_atom": -7.690020929285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -193.30558602,
"band_gap": 1.2050999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9994546,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.580000Z",
"spacegroup": 8
},
{
"id": "mp-859103",
"created_at": "2022-09-04T14:39:46.631617Z",
"structure_string": "Li2 Ni4 P10 O30\n1.0\n13.023633 0.000000 0.000000\n0.000000 5.136788 0.000000\n0.000000 1.783819 8.346329\nLi Ni P O\n2 4 10 30\ndirect\n0.000000 0.500000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.913469 0.865692 0.149266 Ni\n0.586531 0.865692 0.149266 Ni\n0.413469 0.134308 0.850734 Ni\n0.086531 0.134308 0.850734 Ni\n0.362151 0.974482 0.505730 P\n0.137849 0.974482 0.505730 P\n0.929894 0.656737 0.812504 P\n0.570106 0.656737 0.812504 P\n0.250000 0.557974 0.972640 P\n0.750000 0.442026 0.027360 P\n0.429894 0.343263 0.187496 P\n0.070106 0.343263 0.187496 P\n0.637849 0.025518 0.494270 P\n0.862151 0.025518 0.494270 P\n0.750000 0.951017 0.446789 O\n0.962147 0.850439 0.917691 O\n0.537853 0.850439 0.917691 O\n0.250000 0.836165 0.875766 O\n0.868492 0.810947 0.664696 O\n0.631508 0.810947 0.664696 O\n0.571127 0.921437 0.374638 O\n0.928873 0.921437 0.374638 O\n0.372440 0.700479 0.480297 O\n0.127560 0.700479 0.480297 O\n0.846185 0.458003 0.907025 O\n0.653815 0.458003 0.907025 O\n0.012522 0.485967 0.763407 O\n0.487478 0.485967 0.763407 O\n0.750000 0.680950 0.105781 O\n0.250000 0.319050 0.894219 O\n0.512522 0.514033 0.236593 O\n0.987478 0.514033 0.236593 O\n0.346185 0.541997 0.092975 O\n0.153815 0.541997 0.092975 O\n0.872440 0.299521 0.519703 O\n0.627560 0.299521 0.519703 O\n0.428873 0.078563 0.625362 O\n0.071127 0.078563 0.625362 O\n0.368492 0.189053 0.335304 O\n0.131508 0.189053 0.335304 O\n0.750000 0.163835 0.124234 O\n0.462147 0.149561 0.082309 O\n0.037853 0.149561 0.082309 O\n0.250000 0.048983 0.553211 O\n",
"nsites": 46,
"nelements": 4,
"elements": [
"Li",
"Ni",
"P",
"O"
],
"chemical_system": "Li-Ni-O-P",
"density": 3.088048560520994,
"density_atomic": 0.0823831777431643,
"volume": 558.3664197004931,
"volume_molar": 7.309915598029579,
"formula_full": "Li2 Ni4 P10 O30",
"formula_reduced": "LiNi2(PO3)5",
"formula_anonymous": "AB2C5D15",
"energy": -338.28499615,
"energy_per_atom": -7.354021655434782,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -307.51099615,
"band_gap": 3.3530999999999995,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 8.0001507,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.645000Z",
"spacegroup": 11
},
{
"id": "mp-755115",
"created_at": "2022-09-04T14:39:46.724788Z",
"structure_string": "Cu2 Re2 O8\n1.0\n4.782849 0.000000 0.000000\n-0.188149 4.935221 0.000000\n-0.472446 -0.025966 5.851699\nCu Re O\n2 2 8\ndirect\n0.508033 0.751935 0.666405 Cu\n0.491967 0.248065 0.333595 Cu\n0.015863 0.253269 0.824638 Re\n0.984137 0.746731 0.175362 Re\n0.214287 0.948494 0.900127 O\n0.250169 0.407821 0.639287 O\n0.209118 0.435532 0.113661 O\n0.261726 0.889976 0.371889 O\n0.738274 0.110024 0.628111 O\n0.790882 0.564468 0.886339 O\n0.749831 0.592179 0.360713 O\n0.785713 0.051506 0.099873 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Cu",
"Re",
"O"
],
"chemical_system": "Cu-O-Re",
"density": 7.543769398959294,
"density_atomic": 0.0868772353529453,
"volume": 138.1259423282647,
"volume_molar": 6.931782227570434,
"formula_full": "Cu2 Re2 O8",
"formula_reduced": "CuReO4",
"formula_anonymous": "ABC4",
"energy": -93.23124192,
"energy_per_atom": -7.7692701600000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.73524192,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.69e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.611000Z",
"spacegroup": 2
},
{
"id": "mp-1010161",
"created_at": "2022-09-04T14:39:46.729802Z",
"structure_string": "Dy1 As1\n1.0\n3.576506 0.000000 0.000000\n0.000000 3.576506 0.000000\n0.000000 0.000000 3.576506\nDy As\n1 1\ndirect\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 As\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Dy",
"As"
],
"chemical_system": "As-Dy",
"density": 8.617721423696658,
"density_atomic": 0.04371727885070559,
"volume": 45.748501566851765,
"volume_molar": 13.775195799733094,
"formula_full": "Dy1 As1",
"formula_reduced": "DyAs",
"formula_anonymous": "AB",
"energy": -11.36555402,
"energy_per_atom": -5.68277701,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.36555402,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017851,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.755000Z",
"spacegroup": 221
},
{
"id": "mp-1182344",
"created_at": "2022-09-04T14:39:46.619474Z",
"structure_string": "Ba2 I2 O10\n1.0\n4.804835 0.046698 -1.121415\n-0.339726 7.886097 -1.763729\n0.619538 -1.631243 7.739174\nBa I O\n2 2 10\ndirect\n0.778221 0.893589 0.647738 Ba\n0.221779 0.106411 0.352262 Ba\n0.800432 0.432081 0.721061 I\n0.199568 0.567919 0.278939 I\n0.784314 0.835653 0.147219 O\n0.215686 0.164347 0.852781 O\n0.604881 0.833865 0.250302 O\n0.395119 0.166135 0.749698 O\n0.769573 0.178736 0.525024 O\n0.230427 0.821264 0.474976 O\n0.781571 0.170252 0.056441 O\n0.218429 0.829748 0.943559 O\n0.432622 0.794400 0.863651 O\n0.567378 0.205600 0.136349 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ba",
"I",
"O"
],
"chemical_system": "Ba-I-O",
"density": 4.020382143786092,
"density_atomic": 0.04923449542411794,
"volume": 284.35347776798744,
"volume_molar": 12.231547633673937,
"formula_full": "Ba2 I2 O10",
"formula_reduced": "BaIO5",
"formula_anonymous": "ABC5",
"energy": -68.93144679,
"energy_per_atom": -4.923674770714285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.32144679,
"band_gap": 0.151,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9997667,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.155000Z",
"spacegroup": 2
},
{
"id": "mp-1191507",
"created_at": "2022-09-04T14:39:46.621412Z",
"structure_string": "Eu8 I12 O2\n1.0\n5.229572 -9.057884 0.000000\n5.229572 9.057884 0.000000\n0.000000 0.000000 8.045918\nEu I O\n8 12 2\ndirect\n0.333333 0.666667 0.097668 Eu\n0.666667 0.333333 0.597668 Eu\n0.207127 0.792873 0.486218 Eu\n0.585745 0.792873 0.486218 Eu\n0.207127 0.414255 0.486218 Eu\n0.792873 0.207127 0.986218 Eu\n0.414255 0.207127 0.986218 Eu\n0.792873 0.585745 0.986218 Eu\n0.135778 0.864222 0.110625 I\n0.728443 0.864222 0.110625 I\n0.135778 0.271557 0.110625 I\n0.864222 0.135778 0.610625 I\n0.271557 0.135778 0.610625 I\n0.864222 0.728443 0.610625 I\n0.464458 0.535542 0.792643 I\n0.071084 0.535542 0.792643 I\n0.464458 0.928916 0.792643 I\n0.535542 0.464458 0.292643 I\n0.928916 0.464458 0.292643 I\n0.535542 0.071084 0.292643 I\n0.333333 0.666667 0.393298 O\n0.666667 0.333333 0.893298 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Eu",
"I",
"O"
],
"chemical_system": "Eu-I-O",
"density": 6.035577824000853,
"density_atomic": 0.028861851096516112,
"volume": 762.2518710400942,
"volume_molar": 20.865400281712798,
"formula_full": "Eu8 I12 O2",
"formula_reduced": "Eu4I6O",
"formula_anonymous": "AB4C6",
"energy": -156.94657873,
"energy_per_atom": -7.133935396818182,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -151.02457873,
"band_gap": 1.2001999999999995,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 56.0012022,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:33.461000Z",
"spacegroup": 186
},
{
"id": "mp-567583",
"created_at": "2022-09-04T14:39:46.623623Z",
"structure_string": "Cs2 Sb2 Cl12\n1.0\n3.387667 6.395116 0.000000\n-3.387667 6.395116 0.000000\n0.000000 2.821866 12.622196\nCs Sb Cl\n2 2 12\ndirect\n0.878525 0.121475 0.750000 Cs\n0.121475 0.878525 0.250000 Cs\n0.500000 0.000000 0.500000 Sb\n0.000000 0.500000 0.000000 Sb\n0.455109 0.711951 0.605800 Cl\n0.711951 0.455109 0.105800 Cl\n0.803581 0.629249 0.845545 Cl\n0.544891 0.288049 0.394200 Cl\n0.629249 0.803581 0.345545 Cl\n0.196419 0.370751 0.154455 Cl\n0.199003 0.118063 0.958891 Cl\n0.118063 0.199003 0.458891 Cl\n0.800997 0.881937 0.041109 Cl\n0.370751 0.196419 0.654455 Cl\n0.881937 0.800997 0.541109 Cl\n0.288049 0.544891 0.894200 Cl\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Cs",
"Sb",
"Cl"
],
"chemical_system": "Cl-Cs-Sb",
"density": 2.838169766644124,
"density_atomic": 0.029255392371180095,
"volume": 546.907722070473,
"volume_molar": 20.58472053149592,
"formula_full": "Cs2 Sb2 Cl12",
"formula_reduced": "CsSbCl6",
"formula_anonymous": "ABC6",
"energy": -56.87328046,
"energy_per_atom": -3.55458002875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.50528046,
"band_gap": 2.0825,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0034029,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.102000Z",
"spacegroup": 15
},
{
"id": "mp-1178087",
"created_at": "2022-09-04T14:39:46.630590Z",
"structure_string": "Li12 V3 Ni1 P4 C4 O28\n1.0\n6.593508 0.000000 0.000000\n0.000000 8.451758 0.000000\n0.000000 0.919970 9.935627\nLi V Ni P C O\n12 3 1 4 4 28\ndirect\n0.000000 0.903095 0.617047 Li\n0.000000 0.901740 0.116718 Li\n0.223209 0.720656 0.875444 Li\n0.776791 0.720656 0.875444 Li\n0.223001 0.721703 0.375295 Li\n0.776999 0.721703 0.375295 Li\n0.725191 0.278090 0.622145 Li\n0.274809 0.278090 0.622145 Li\n0.723576 0.278856 0.125499 Li\n0.276424 0.278856 0.125499 Li\n0.500000 0.096337 0.883463 Li\n0.500000 0.095395 0.383000 Li\n0.500000 0.671311 0.603376 V\n0.500000 0.671321 0.104048 V\n0.000000 0.327286 0.895949 V\n0.000000 0.331346 0.397102 Ni\n0.000000 0.588060 0.636664 P\n0.000000 0.587327 0.141247 P\n0.500000 0.409759 0.860089 P\n0.500000 0.410496 0.359910 P\n0.500000 0.966182 0.651850 C\n0.500000 0.965936 0.152143 C\n0.000000 0.032776 0.848668 C\n0.000000 0.040214 0.350577 C\n0.500000 0.926813 0.529083 O\n0.000000 0.886209 0.821556 O\n0.500000 0.926678 0.029140 O\n0.500000 0.852165 0.748946 O\n0.000000 0.894465 0.320063 O\n0.500000 0.852094 0.249174 O\n0.182654 0.692426 0.584246 O\n0.817346 0.692426 0.584246 O\n0.182381 0.692397 0.089106 O\n0.817619 0.692397 0.089106 O\n0.500000 0.577556 0.909829 O\n0.000000 0.567370 0.793910 O\n0.500000 0.578073 0.409449 O\n0.000000 0.563544 0.298979 O\n0.500000 0.429419 0.702872 O\n0.000000 0.420335 0.585378 O\n0.500000 0.429436 0.202714 O\n0.000000 0.421663 0.088316 O\n0.317237 0.306109 0.913970 O\n0.682763 0.306109 0.913970 O\n0.685716 0.307933 0.412978 O\n0.314284 0.307933 0.412978 O\n0.000000 0.147133 0.751800 O\n0.500000 0.113183 0.678634 O\n0.000000 0.157884 0.255996 O\n0.000000 0.072011 0.971755 O\n0.500000 0.112867 0.178941 O\n0.000000 0.076180 0.474248 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
"Li",
"V",
"Ni",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Ni-O-P-V",
"density": 2.7433650431675995,
"density_atomic": 0.0939170567441934,
"volume": 553.6800428236908,
"volume_molar": 6.412190680552103,
"formula_full": "Li12 V3 Ni1 P4 C4 O28",
"formula_reduced": "Li12V3NiP4(CO7)4",
"formula_anonymous": "AB3C4D4E12F28",
"energy": -377.77773267,
"energy_per_atom": -7.2649563975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -350.90073267,
"band_gap": 2.0119,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.994051,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.646000Z",
"spacegroup": 6
}
]
}