HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=10",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=8",
"results": [
{
"id": "jvasp-102180",
"created_at": "2022-09-04T14:36:41.845421Z",
"updated_at": "2022-09-04T14:36:41.845447Z",
"structure_string": "Sr2 Mn1 Ga1 O5 F1\n1.0\n3.838734 -0.000000 0.000000\n0.000000 3.944790 0.000000\n0.000000 0.000000 7.743032\nSr Mn Ga O F\n2 1 1 5 1\ndirect\n0.499999 0.500000 0.763187 Sr\n0.499999 0.500000 0.236813 Sr\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Ga\n0.499999 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.754749 O\n0.000000 0.000000 0.245250 O\n0.499999 0.000000 0.500000 O\n0.000000 0.500000 0.500000 F\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Mn",
"Ga",
"O",
"F"
],
"chemical_system": "F-Ga-Mn-O-Sr",
"density": 5.649191601889364,
"density_atomic": 0.08528586095980258,
"volume": 117.25272967242785,
"volume_molar": 7.061124425815891,
"formula_full": "Sr2 Mn1 Ga1 O5 F1",
"formula_reduced": "Sr2MnGaO5F",
"formula_anonymous": "ABCD2E5",
"energy_above_hull": 1.484436996887931,
"spacegroup": 47
},
{
"id": "jvasp-85919",
"created_at": "2022-09-04T14:36:11.469325Z",
"updated_at": "2022-09-04T14:36:11.469352Z",
"structure_string": "K2 C2 Br2 N4 O8\n1.0\n5.994702 0.084599 -1.465926\n-1.491209 6.126778 -3.152767\n0.007444 0.003866 7.375603\nK C Br N O\n2 2 2 4 8\ndirect\n0.327966 0.278909 0.127384 K\n0.672033 0.721092 0.872615 K\n0.952538 0.243067 0.537866 C\n0.047461 0.756934 0.462133 C\n0.796733 0.203491 0.711265 Br\n0.203266 0.796510 0.288734 Br\n0.822491 0.638321 0.369386 N\n0.177509 0.361680 0.630613 N\n0.834137 0.158854 0.323780 N\n0.165862 0.841147 0.676219 N\n0.272857 0.421516 0.825496 O\n0.714941 0.587825 0.473385 O\n0.727142 0.578485 0.174503 O\n0.371865 0.945611 0.741789 O\n0.628134 0.054390 0.258210 O\n0.285059 0.412176 0.526614 O\n0.924642 0.179002 0.194291 O\n0.075357 0.820999 0.805708 O\n",
"nsites": 18,
"nelements": 5,
"elements": [
"K",
"C",
"Br",
"N",
"O"
],
"chemical_system": "Br-C-K-N-O",
"density": 2.7233936779105896,
"density_atomic": 0.06618388187390349,
"volume": 271.9695413800963,
"volume_molar": 9.099104781242136,
"formula_full": "K2 C2 Br2 N4 O8",
"formula_reduced": "KCBr(NO2)2",
"formula_anonymous": "ABCD2E4",
"energy_above_hull": 3.234845845,
"spacegroup": 2
},
{
"id": "jvasp-98350",
"created_at": "2022-09-04T14:36:10.527135Z",
"updated_at": "2022-09-04T14:36:10.527145Z",
"structure_string": "Ba2 Nd1 Nb1 Cu2 O8\n1.0\n3.998430 -0.000000 -0.000000\n-0.000000 3.998430 0.000000\n0.000000 -0.000000 12.049001\nBa Nd Nb Cu O\n2 1 1 2 8\ndirect\n0.500000 0.500000 0.804097 Ba\n0.500000 0.500000 0.195903 Ba\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Nb\n0.000000 0.000000 0.360564 Cu\n0.000000 0.000000 0.639436 Cu\n0.500000 0.000000 0.625590 O\n0.000000 0.500000 0.625590 O\n0.500000 0.000000 0.374410 O\n0.000000 0.500000 0.374410 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.165620 O\n0.000000 0.000000 0.834380 O\n",
"nsites": 14,
"nelements": 5,
"elements": [
"Ba",
"Nd",
"Nb",
"Cu",
"O"
],
"chemical_system": "Ba-Cu-Nb-Nd-O",
"density": 6.610767744094224,
"density_atomic": 0.07267716880506482,
"volume": 192.63271024702257,
"volume_molar": 8.286152114913316,
"formula_full": "Ba2 Nd1 Nb1 Cu2 O8",
"formula_reduced": "Ba2NdNb(CuO4)2",
"formula_anonymous": "ABC2D2E8",
"energy_above_hull": 2.03332441,
"spacegroup": 123
},
{
"id": "jvasp-97936",
"created_at": "2022-09-04T14:36:11.383665Z",
"updated_at": "2022-09-04T14:36:11.383692Z",
"structure_string": "In4 H28 N8 O4 F16\n1.0\n6.818044 0.000000 0.000000\n0.000000 8.542216 0.000000\n0.000000 0.000000 9.276555\nIn H N O F\n4 28 8 4 16\ndirect\n0.863276 0.709277 0.451309 In\n0.636724 0.290723 0.951309 In\n0.363276 0.790724 0.548690 In\n0.136724 0.209277 0.048691 In\n0.782712 0.786748 0.785325 H\n0.717287 0.213252 0.285326 H\n0.282712 0.713252 0.214674 H\n0.217287 0.286748 0.714674 H\n0.739440 0.781410 0.964711 H\n0.239441 0.718591 0.035288 H\n0.915936 0.178853 0.689230 H\n0.260559 0.281410 0.535288 H\n0.911317 0.905364 0.895023 H\n0.411317 0.594637 0.104977 H\n0.088682 0.405364 0.604977 H\n0.760559 0.218591 0.464711 H\n0.584063 0.821148 0.189230 H\n0.588682 0.094637 0.395023 H\n0.084063 0.678853 0.810770 H\n0.415936 0.321147 0.310770 H\n-0.001641 0.478992 0.254020 H\n0.501641 0.521009 0.754019 H\n0.498359 0.021009 0.745980 H\n0.001641 0.978992 0.245980 H\n0.732300 0.493289 0.716167 H\n0.767699 0.506711 0.216167 H\n0.232301 0.006711 0.283833 H\n0.947282 0.573046 0.917192 H\n0.552717 0.426954 0.417192 H\n0.447282 0.926955 0.082807 H\n0.052717 0.073046 0.582807 H\n0.267699 0.993289 0.783832 H\n0.650865 0.205701 0.386441 N\n0.150865 0.294299 0.613559 N\n0.849134 0.794299 0.886440 N\n0.349135 0.705701 0.113559 N\n0.508660 0.817528 0.093048 N\n0.491340 0.317528 0.406952 N\n0.008660 0.682472 0.906952 N\n0.991339 0.182472 0.593047 N\n0.869864 0.516893 0.293060 O\n0.630136 0.483108 0.793060 O\n0.369864 0.983108 0.706939 O\n0.130136 0.016893 0.206939 O\n0.829224 0.188941 0.117329 F\n0.670775 0.811060 0.617328 F\n0.108594 0.026854 0.899702 F\n0.391406 0.973147 0.399702 F\n0.608594 0.473146 0.100297 F\n0.891406 0.526854 0.600297 F\n0.184363 0.397923 0.185430 F\n0.446741 0.153409 0.095973 F\n0.684363 0.102077 0.814570 F\n0.815637 0.897923 0.314570 F\n0.053259 0.846592 0.595972 F\n0.946740 0.346591 0.904027 F\n0.553259 0.653409 0.404027 F\n0.170775 0.688941 0.382671 F\n0.315637 0.602077 0.685429 F\n0.329225 0.311060 0.882671 F\n",
"nsites": 60,
"nelements": 5,
"elements": [
"In",
"H",
"N",
"O",
"F"
],
"chemical_system": "F-H-In-N-O",
"density": 2.9736644676913255,
"density_atomic": 0.11105399290988525,
"volume": 540.2777372326179,
"volume_molar": 5.422714305181863,
"formula_full": "In4 H28 N8 O4 F16",
"formula_reduced": "InH7N2OF4",
"formula_anonymous": "ABC2D4E7",
"energy_above_hull": 2.3737327400000003,
"spacegroup": 19
},
{
"id": "jvasp-42255",
"created_at": "2022-09-04T14:36:16.680649Z",
"updated_at": "2022-09-04T14:36:16.680659Z",
"structure_string": "Li4 Ti3 V3 Te2 O16\n1.0\n5.898339 -0.001237 0.002342\n-2.948152 5.164796 0.016094\n-0.004259 0.020967 10.218654\nLi Ti V Te O\n4 3 3 2 16\ndirect\n0.334506 0.669027 0.098114 Li\n0.999443 0.998885 0.011720 Li\n-0.000401 -0.000767 0.507093 Li\n0.663396 0.326827 0.602181 Li\n0.162821 0.816685 0.779360 Ti\n0.653851 0.816691 0.779361 Ti\n0.824896 0.649817 0.273698 Ti\n0.352902 0.173150 0.283272 V\n0.820218 0.173150 0.283275 V\n0.174564 0.349141 0.787949 V\n0.330104 0.660239 0.492207 Te\n0.660263 0.320529 -0.000629 Te\n0.846971 0.693959 0.896959 O\n0.316970 0.154830 0.901457 O\n0.672078 0.344184 0.396058 O\n0.981852 0.497806 0.170346 O\n0.515931 0.497794 0.170335 O\n0.158476 0.316980 0.396387 O\n0.498142 0.512550 0.675251 O\n0.486210 0.972435 0.675136 O\n0.675663 0.839006 0.397770 O\n0.000452 0.000941 0.193813 O\n0.000706 0.001423 0.689833 O\n0.339304 0.678625 0.895261 O\n0.514846 0.029724 0.161453 O\n0.163308 0.839013 0.397774 O\n0.014381 0.512544 0.675254 O\n0.837854 0.154826 0.901458 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Ti",
"V",
"Te",
"O"
],
"chemical_system": "Li-O-Te-Ti-V",
"density": 4.456679705494185,
"density_atomic": 0.08995728416543114,
"volume": 311.25884090173395,
"volume_molar": 6.694444831088169,
"formula_full": "Li4 Ti3 V3 Te2 O16",
"formula_reduced": "Li4Ti3V3(TeO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy_above_hull": 3.019256754761905,
"spacegroup": 8
},
{
"id": "jvasp-95315",
"created_at": "2022-09-04T14:36:31.781487Z",
"updated_at": "2022-09-04T14:36:31.781513Z",
"structure_string": "Ba4 Zn2 Ge4 S12 O2\n1.0\n6.473506 0.000000 0.000000\n0.000000 9.688328 0.000000\n0.000000 0.000000 9.688328\nBa Zn Ge S O\n4 2 4 12 2\ndirect\n0.500110 0.158927 0.658927 Ba\n0.499890 0.341073 0.158927 Ba\n0.500110 0.841073 0.341073 Ba\n0.499890 0.658927 0.841073 Ba\n0.000000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.069589 0.873698 0.626302 Ge\n0.069589 0.126302 0.373698 Ge\n0.930412 0.373698 0.873698 Ge\n0.930412 0.626302 0.126302 Ge\n0.265377 0.634862 0.134862 S\n0.734624 0.134862 0.365138 S\n0.734624 0.865139 0.634862 S\n0.230026 0.322582 0.437131 S\n0.769975 0.437131 0.677419 S\n0.769975 0.562869 0.322582 S\n0.230026 0.677419 0.562869 S\n0.769975 0.822582 0.062869 S\n0.769975 0.177419 0.937131 S\n0.230026 0.062869 0.177419 S\n0.230026 0.937131 0.822582 S\n0.265377 0.365138 0.865139 S\n0.183167 0.000000 0.500000 O\n0.816833 0.500000 0.000000 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Ba",
"Zn",
"Ge",
"S",
"O"
],
"chemical_system": "Ba-Ge-O-S-Zn",
"density": 3.79169896030418,
"density_atomic": 0.03949790126519404,
"volume": 607.6272214784498,
"volume_molar": 15.246736072295498,
"formula_full": "Ba4 Zn2 Ge4 S12 O2",
"formula_reduced": "Ba2ZnGe2S6O",
"formula_anonymous": "ABC2D2E6",
"energy_above_hull": 1.2393839783333334,
"spacegroup": 113
},
{
"id": "jvasp-48240",
"created_at": "2022-09-04T14:36:17.692197Z",
"updated_at": "2022-09-04T14:36:17.692221Z",
"structure_string": "Li1 V1 P3 H1 O10\n1.0\n4.659379 4.386331 0.094946\n-4.659379 4.386331 -0.094946\n-2.564361 0.000000 5.695354\nLi V P H O\n1 1 3 1 10\ndirect\n0.179685 0.179685 0.500000 Li\n0.655270 0.655270 -0.000000 V\n0.189225 0.548074 0.098343 P\n0.559890 0.559890 0.500000 P\n0.548074 0.189225 0.901656 P\n0.229971 0.229971 0.000000 H\n0.330886 0.652540 0.941731 O\n0.655216 0.968957 0.974625 O\n0.592943 0.705441 0.655588 O\n0.305180 0.581109 0.356960 O\n0.293559 0.184985 0.848292 O\n0.184985 0.293559 0.151707 O\n0.581109 0.305180 0.643039 O\n0.705441 0.592943 0.344411 O\n0.968957 0.655216 0.025374 O\n0.652540 0.330886 0.058269 O\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Li",
"V",
"P",
"H",
"O"
],
"chemical_system": "H-Li-O-P-V",
"density": 2.203872842547956,
"density_atomic": 0.06810411162007532,
"volume": 234.9344205421456,
"volume_molar": 8.842550936711477,
"formula_full": "Li1 V1 P3 H1 O10",
"formula_reduced": "LiVP3HO10",
"formula_anonymous": "ABCD3E10",
"energy_above_hull": 3.03880973125,
"spacegroup": 5
},
{
"id": "jvasp-61862",
"created_at": "2022-09-04T14:36:18.779800Z",
"updated_at": "2022-09-04T14:36:18.779841Z",
"structure_string": "Ca4 Si4 B4 H4 O20\n1.0\n0.000000 4.842749 0.004017\n7.642463 0.000000 0.000000\n0.000000 -0.030450 -9.706724\nCa Si B H O\n4 4 4 4 20\ndirect\n0.991967 0.393734 0.836438 Ca\n0.008033 0.893734 0.663561 Ca\n0.008033 0.606266 0.163561 Ca\n0.991967 0.106266 0.336439 Ca\n0.529252 0.732420 0.915934 Si\n0.470749 0.232420 0.584065 Si\n0.470749 0.267579 0.084065 Si\n0.529251 0.767579 0.415935 Si\n0.428438 0.911363 0.159018 B\n0.571562 0.411363 0.340982 B\n0.571562 0.088637 0.840982 B\n0.428438 0.588637 0.659017 B\n0.810024 0.535200 0.577336 H\n0.189976 0.035200 0.922663 H\n0.810024 0.964800 0.077336 H\n0.189976 0.464800 0.422664 H\n0.678290 0.335260 0.211214 O\n0.260998 0.413722 0.336700 O\n0.739002 0.913721 0.163299 O\n0.687365 0.588984 0.354292 O\n0.312635 0.088984 0.145708 O\n0.312635 0.411016 0.645707 O\n0.687365 0.911015 0.854292 O\n0.321711 0.835259 0.288786 O\n0.678290 0.164740 0.711214 O\n0.241713 0.095466 0.535982 O\n0.325923 0.697587 0.542357 O\n0.674078 0.197587 0.957642 O\n0.674078 0.302413 0.457642 O\n0.325922 0.802413 0.042357 O\n0.758288 0.904534 0.464017 O\n0.241713 0.404534 0.035982 O\n0.260998 0.086278 0.836700 O\n0.758288 0.595466 0.964017 O\n0.321711 0.664740 0.788786 O\n0.739002 0.586278 0.663299 O\n",
"nsites": 36,
"nelements": 5,
"elements": [
"Ca",
"Si",
"B",
"H",
"O"
],
"chemical_system": "B-Ca-H-O-Si",
"density": 2.9578517639127293,
"density_atomic": 0.10020874999991972,
"volume": 359.250065488581,
"volume_molar": 6.0095957289207025,
"formula_full": "Ca4 Si4 B4 H4 O20",
"formula_reduced": "CaSiBHO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 2.564916567037037,
"spacegroup": 14
},
{
"id": "jvasp-96792",
"created_at": "2022-09-04T14:36:18.351512Z",
"updated_at": "2022-09-04T14:36:18.351538Z",
"structure_string": "K12 Na2 Au4 I2 O16\n1.0\n7.068512 0.000000 -0.371036\n0.000000 9.744818 0.000000\n0.031701 0.000000 10.115422\nK Na Au I O\n12 2 4 2 16\ndirect\n0.599493 0.664126 0.588587 K\n0.750000 0.351996 0.750000 K\n0.117324 0.820879 0.587002 K\n0.250000 0.155822 0.750000 K\n0.099493 0.335874 0.088587 K\n0.750000 0.844178 0.250000 K\n0.617324 0.179121 0.087002 K\n0.900506 0.664126 0.911412 K\n0.250000 0.648004 0.250000 K\n0.400506 0.335874 0.411412 K\n0.882675 0.179121 0.412998 K\n0.382675 0.820879 0.912998 K\n0.750000 0.505841 0.250000 Na\n0.250000 0.494159 0.750000 Na\n0.500000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.250000 0.044494 0.250000 Au\n0.750000 0.955506 0.750000 Au\n-0.000000 0.500000 0.500000 I\n0.500000 0.500000 -0.000000 I\n0.410156 0.336018 0.907921 O\n0.045044 0.417853 0.332055 O\n0.027233 0.944214 0.810077 O\n0.972766 0.055787 0.189922 O\n0.545044 0.582148 0.832055 O\n0.253997 0.573306 0.513012 O\n0.954955 0.582148 0.667944 O\n0.089843 0.336018 0.592079 O\n0.910156 0.663983 0.407921 O\n0.454955 0.417853 0.167944 O\n0.472767 0.944214 0.689922 O\n0.527233 0.055787 0.310077 O\n0.246002 0.573306 0.986987 O\n0.589843 0.663983 0.092079 O\n0.746002 0.426694 0.486987 O\n0.753997 0.426694 0.013012 O\n",
"nsites": 36,
"nelements": 5,
"elements": [
"K",
"Na",
"Au",
"I",
"O"
],
"chemical_system": "Au-I-K-Na-O",
"density": 4.3196419029979065,
"density_atomic": 0.051658920399409725,
"volume": 696.8786750024948,
"volume_molar": 11.65750409307588,
"formula_full": "K12 Na2 Au4 I2 O16",
"formula_reduced": "K6NaAu2IO8",
"formula_anonymous": "ABC2D6E8",
"energy_above_hull": 0.8753364675,
"spacegroup": 13
},
{
"id": "jvasp-100468",
"created_at": "2022-09-04T14:36:32.676474Z",
"updated_at": "2022-09-04T14:36:32.676503Z",
"structure_string": "Rb1 Sr1 C1 O3 F1\n1.0\n5.314175 0.000000 0.000000\n-2.657088 4.602211 0.000000\n-0.000000 0.000000 4.799016\nRb Sr C O F\n1 1 1 3 1\ndirect\n0.666666 0.333333 0.000000 Rb\n0.000000 0.000000 0.500000 Sr\n0.333332 0.666667 0.500000 C\n0.474485 0.948970 0.500000 O\n0.474485 0.525514 0.500000 O\n0.051029 0.525514 0.500000 O\n0.000000 0.000000 0.000000 F\n",
"nsites": 7,
"nelements": 5,
"elements": [
"Rb",
"Sr",
"C",
"O",
"F"
],
"chemical_system": "C-F-O-Rb-Sr",
"density": 3.566637170350518,
"density_atomic": 0.05964080051589463,
"volume": 117.36931663307332,
"volume_molar": 10.09735065241967,
"formula_full": "Rb1 Sr1 C1 O3 F1",
"formula_reduced": "RbSrCO3F",
"formula_anonymous": "ABCDE3",
"energy_above_hull": 1.526279584642857,
"spacegroup": 187
},
{
"id": "jvasp-52403",
"created_at": "2022-09-04T14:36:34.560627Z",
"updated_at": "2022-09-04T14:36:34.560658Z",
"structure_string": "Na2 Cu1 H4 C4 O10\n1.0\n3.528449 0.026786 -0.028603\n-1.708849 7.302858 0.023614\n-1.433370 -2.696973 9.040515\nNa Cu H C O\n2 1 4 4 10\ndirect\n0.689757 0.301526 0.576027 Na\n0.310243 0.698475 0.423972 Na\n0.000000 0.000000 0.000000 Cu\n0.468954 0.531949 0.801847 H\n0.531046 0.468052 0.198153 H\n0.346147 0.325918 0.827011 H\n0.653853 0.674083 0.172988 H\n0.738533 0.026002 0.257036 C\n0.261467 0.973999 0.742963 C\n0.040232 0.219145 0.278447 C\n0.959768 0.780856 0.721553 C\n0.293823 0.400912 0.757843 O\n0.188560 0.234572 0.164909 O\n0.811440 0.765429 0.835091 O\n0.672271 0.904502 0.127547 O\n0.327729 0.095499 0.872452 O\n0.125737 0.344273 0.398850 O\n0.874263 0.655728 0.601149 O\n0.576131 -0.001671 0.358689 O\n0.423870 0.001672 0.641310 O\n0.706178 0.599089 0.242157 O\n",
"nsites": 21,
"nelements": 5,
"elements": [
"Na",
"Cu",
"H",
"C",
"O"
],
"chemical_system": "C-Cu-H-Na-O",
"density": 2.290354433280673,
"density_atomic": 0.09006681836970575,
"volume": 233.16022904017018,
"volume_molar": 6.686303423398784,
"formula_full": "Na2 Cu1 H4 C4 O10",
"formula_reduced": "Na2CuH4(C2O5)2",
"formula_anonymous": "AB2C4D4E10",
"energy_above_hull": 3.36219445,
"spacegroup": 2
},
{
"id": "jvasp-47581",
"created_at": "2022-09-04T14:36:40.943658Z",
"updated_at": "2022-09-04T14:36:40.943675Z",
"structure_string": "Li4 Mn3 Ni1 P4 O16\n1.0\n0.000000 4.731199 -0.001772\n6.060749 0.000000 0.000000\n0.000000 -0.014548 -10.326680\nLi Mn Ni P O\n4 3 1 4 16\ndirect\n0.998430 0.250802 0.005243 Li\n0.998430 0.749198 0.005243 Li\n0.501829 0.747113 0.494139 Li\n0.501829 0.252887 0.494139 Li\n0.029999 0.000000 0.718006 Mn\n0.471539 0.000000 0.221665 Mn\n0.524666 0.500000 0.779367 Mn\n0.973932 0.500000 0.278477 Ni\n0.915570 0.000000 0.407475 P\n0.587699 0.000000 0.909279 P\n0.412063 0.500000 0.097181 P\n0.084473 0.500000 0.586097 P\n0.782003 0.795209 0.337184 O\n0.760882 0.500000 0.591403 O\n0.737066 0.500000 0.101474 O\n0.721860 0.203742 0.838922 O\n0.721860 0.796259 0.838922 O\n0.712267 0.000000 0.048604 O\n0.292174 0.500000 0.956878 O\n0.221007 0.297633 0.657708 O\n0.274000 0.296476 0.166174 O\n0.263704 0.000000 0.906265 O\n0.239821 0.000000 0.406190 O\n0.221007 0.702367 0.657708 O\n0.782003 0.204792 0.337184 O\n0.207853 0.500000 0.446623 O\n0.274000 0.703524 0.166174 O\n0.788029 0.000000 0.546274 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Ni",
"P",
"O"
],
"chemical_system": "Li-Mn-Ni-O-P",
"density": 3.5393867970462574,
"density_atomic": 0.09455828108795436,
"volume": 296.113673787656,
"volume_molar": 6.368707944678524,
"formula_full": "Li4 Mn3 Ni1 P4 O16",
"formula_reduced": "Li4Mn3Ni(PO4)4",
"formula_anonymous": "AB3C4D4E16",
"energy_above_hull": 2.99409114729064,
"spacegroup": 6
}
]
}