GET /third-parties/JarvisStructure/?format=api&ordering=nsites&page=4603
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=nsites&page=4604",
    "previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=4602",
    "results": [
        {
            "id": "jvasp-20984",
            "created_at": "2022-09-04T14:38:35.353234Z",
            "updated_at": "2022-09-04T14:38:35.353258Z",
            "structure_string": "Zr4 S8 O32\n1.0\n5.482986 -0.000000 0.000000\n-0.000000 8.654674 0.000000\n0.000000 0.000000 10.972578\nZr S O\n4 8 32\ndirect\n0.250000 0.754714 0.604618 Zr\n0.750001 0.245286 0.395382 Zr\n0.250000 0.254714 0.895382 Zr\n0.750001 0.745286 0.104618 Zr\n0.750001 0.647194 0.408100 S\n0.250000 0.352805 0.591900 S\n0.750001 0.147194 0.091900 S\n0.250000 0.852805 0.908100 S\n0.750001 0.499961 0.843193 S\n0.250000 0.000038 0.343193 S\n0.750001 0.999961 0.656807 S\n0.250000 0.500038 0.156807 S\n0.250000 0.237321 0.690810 O\n0.033370 0.604114 0.162821 O\n0.966630 0.895885 0.662821 O\n0.466630 0.104114 0.337179 O\n0.750001 0.762678 0.309190 O\n0.750001 0.262678 0.190810 O\n0.970189 0.666703 0.483284 O\n0.750001 0.988938 0.143273 O\n0.250000 0.011062 0.856727 O\n0.750001 0.488938 0.356727 O\n0.250000 0.511061 0.643273 O\n0.533371 0.395886 0.837179 O\n0.470189 0.333296 0.516716 O\n0.250000 0.737321 0.809191 O\n0.533371 0.895885 0.662821 O\n0.470189 0.833296 0.983284 O\n0.966630 0.395886 0.837179 O\n0.466630 0.604114 0.162821 O\n0.029812 0.333296 0.516716 O\n0.529812 0.666703 0.483284 O\n0.529812 0.166703 0.016716 O\n0.970189 0.166703 0.016716 O\n0.750001 0.607831 0.744428 O\n0.250000 0.392169 0.255572 O\n0.750001 0.107831 0.755572 O\n0.250000 0.892169 0.244428 O\n0.750001 0.571506 0.965769 O\n0.250000 0.428494 0.034231 O\n0.750001 0.071506 0.534231 O\n0.250000 0.928494 0.465769 O\n0.033370 0.104114 0.337179 O\n0.029812 0.833296 0.983284 O\n",
            "nsites": 44,
            "nelements": 3,
            "elements": [
                "Zr",
                "S",
                "O"
            ],
            "chemical_system": "O-S-Zr",
            "density": 3.614552625118564,
            "density_atomic": 0.08450378250743329,
            "volume": 520.686751461446,
            "volume_molar": 7.1264747935635535,
            "formula_full": "Zr4 S8 O32",
            "formula_reduced": "Zr(SO4)2",
            "formula_anonymous": "AB2C8",
            "energy_above_hull": 2.833312954545454,
            "spacegroup": 62
        },
        {
            "id": "jvasp-30781",
            "created_at": "2022-09-04T14:38:37.414548Z",
            "updated_at": "2022-09-04T14:38:37.414580Z",
            "structure_string": "Zn4 Sn12 O28\n1.0\n5.233426 0.000000 -0.000000\n0.000000 10.291181 0.000000\n0.000000 0.000000 10.253908\nZn Sn O\n4 12 28\ndirect\n0.662281 0.750000 0.869587 Zn\n0.162280 0.250000 0.630413 Zn\n0.337720 0.250000 0.130413 Zn\n0.837720 0.750000 0.369587 Zn\n0.640838 0.015294 0.640336 Sn\n0.359163 0.515294 0.359664 Sn\n0.859163 0.484706 0.140336 Sn\n0.176388 0.750000 0.644233 Sn\n0.676388 0.250000 0.855767 Sn\n0.140838 0.984706 0.859664 Sn\n0.323613 0.750000 0.144233 Sn\n0.140838 0.515294 0.859664 Sn\n0.640838 0.484706 0.640336 Sn\n0.859163 0.015294 0.140336 Sn\n0.359163 0.984706 0.359664 Sn\n0.823613 0.250000 0.355767 Sn\n0.919370 0.620750 0.717271 O\n0.204693 0.750000 0.454822 O\n0.704693 0.250000 0.045178 O\n0.795308 0.250000 0.545178 O\n0.295308 0.750000 0.954822 O\n0.816129 0.917091 0.966940 O\n0.683872 0.582908 0.466940 O\n0.316128 0.082908 0.533060 O\n0.816129 0.582908 0.966940 O\n0.316128 0.417092 0.533060 O\n0.419369 0.379250 0.782729 O\n0.183872 0.417092 0.033060 O\n0.080631 0.120750 0.282729 O\n0.585574 0.121253 0.257903 O\n0.080631 0.379250 0.282729 O\n0.580631 0.620750 0.217271 O\n0.919370 0.879250 0.717271 O\n0.419369 0.120750 0.782729 O\n0.414427 0.621253 0.742097 O\n0.914427 0.378747 0.757903 O\n0.183872 0.082908 0.033060 O\n0.085574 0.878747 0.242097 O\n0.585574 0.378747 0.257903 O\n0.085574 0.621253 0.242097 O\n0.414427 0.878747 0.742097 O\n0.914427 0.121253 0.757903 O\n0.580631 0.879250 0.217271 O\n0.683872 0.917091 0.466940 O\n",
            "nsites": 44,
            "nelements": 3,
            "elements": [
                "Zn",
                "Sn",
                "O"
            ],
            "chemical_system": "O-Sn-Zn",
            "density": 6.416986412131423,
            "density_atomic": 0.07967314406940104,
            "volume": 552.256353303603,
            "volume_molar": 7.558557943633156,
            "formula_full": "Zn4 Sn12 O28",
            "formula_reduced": "ZnSn3O7",
            "formula_anonymous": "AB3C7",
            "energy_above_hull": 1.6828145454545456,
            "spacegroup": 62
        },
        {
            "id": "jvasp-112238",
            "created_at": "2022-09-04T14:38:44.701288Z",
            "updated_at": "2022-09-04T14:38:44.701315Z",
            "structure_string": "H16 C20 O8\n1.0\n19.264262 0.000000 0.000000\n0.000000 3.682506 0.000000\n0.000000 0.000000 5.881799\nH C O\n16 20 8\ndirect\n0.490856 0.094358 0.115676 H\n0.255132 0.944112 0.539192 H\n0.744868 0.055889 0.039192 H\n0.755132 0.555889 0.539192 H\n0.171660 0.082977 0.214749 H\n0.828340 0.917024 0.714749 H\n0.671660 0.417023 0.214749 H\n0.328340 0.582978 0.714749 H\n0.244868 0.444112 0.039192 H\n0.952945 0.088047 0.765926 H\n0.547055 0.588048 0.265926 H\n0.452945 0.411953 0.765926 H\n0.009144 0.594359 0.615676 H\n0.990856 0.405642 0.115676 H\n0.509144 0.905643 0.615676 H\n0.047055 0.911954 0.265926 H\n0.344953 0.447231 0.869036 C\n0.655046 0.552770 0.369036 C\n0.844953 0.052769 0.869036 C\n0.155046 0.947232 0.369036 C\n0.799705 0.124982 0.039110 C\n0.700294 0.624983 0.539110 C\n0.200295 0.875019 0.539110 C\n0.084206 0.849071 0.399625 C\n0.299705 0.375018 0.039110 C\n0.915793 0.150930 0.899625 C\n0.562941 0.824114 0.592776 C\n0.415793 0.349070 0.899625 C\n0.584206 0.650931 0.399625 C\n0.611376 0.915265 0.768666 C\n0.888624 0.415264 0.268666 C\n0.111376 0.584737 0.768666 C\n0.388624 0.084736 0.268666 C\n0.937059 0.324114 0.092776 C\n0.062941 0.675887 0.592776 C\n0.437059 0.175887 0.092776 C\n0.819544 0.294437 0.234116 O\n0.399074 0.911316 0.444028 O\n0.600926 0.088685 0.944028 O\n0.899074 0.588685 0.444028 O\n0.100926 0.411316 0.944028 O\n0.319544 0.205564 0.234116 O\n0.680456 0.794437 0.734116 O\n0.180456 0.705564 0.734116 O\n",
            "nsites": 44,
            "nelements": 3,
            "elements": [
                "H",
                "C",
                "O"
            ],
            "chemical_system": "C-H-O",
            "density": 1.5295173793479764,
            "density_atomic": 0.10545001795439575,
            "volume": 417.259293583324,
            "volume_molar": 5.710895907674868,
            "formula_full": "H16 C20 O8",
            "formula_reduced": "H4C5O2",
            "formula_anonymous": "A2B4C5",
            "energy_above_hull": 4.955160636363637,
            "spacegroup": 33
        },
        {
            "id": "jvasp-112028",
            "created_at": "2022-09-04T14:38:43.421220Z",
            "updated_at": "2022-09-04T14:38:43.421242Z",
            "structure_string": "Ca2 H20 C14 O8\n1.0\n4.368025 -0.069543 -0.255811\n-1.232684 7.456182 -0.863200\n0.016742 0.137382 11.305441\nCa H C O\n2 20 14 8\ndirect\n0.927212 0.500243 0.819485 Ca\n0.927212 0.000243 0.819485 Ca\n0.192594 0.078427 0.398203 H\n0.190466 0.807368 0.443804 H\n0.190466 0.307368 0.443803 H\n0.735025 0.840392 0.541675 H\n0.735024 0.340393 0.541675 H\n0.736823 0.114912 0.498693 H\n0.736824 0.614912 0.498693 H\n0.669459 0.667525 0.287188 H\n0.669458 0.167526 0.287188 H\n0.192595 0.578427 0.398203 H\n0.668959 0.394211 0.334348 H\n0.668960 0.894211 0.334348 H\n0.659316 0.745855 0.073616 H\n0.658073 0.969401 0.128543 H\n0.658072 0.469401 0.128543 H\n0.659316 0.245855 0.073616 H\n0.145377 0.869588 0.220257 H\n0.159577 0.145465 0.167351 H\n0.159577 0.645465 0.167351 H\n0.145377 0.369588 0.220257 H\n0.503705 0.840762 0.098372 C\n0.503705 0.340762 0.098372 C\n0.306159 0.776613 0.198238 C\n0.306159 0.276613 0.198238 C\n0.513596 0.763566 0.309558 C\n0.513595 0.263566 0.309558 C\n0.342862 0.711028 0.418813 C\n0.579465 0.709448 0.523117 C\n0.579465 0.209449 0.523117 C\n0.329898 0.861774 0.982906 C\n0.329898 0.361774 0.982906 C\n0.464088 0.657254 0.640811 C\n0.464087 0.157254 0.640811 C\n0.342861 0.211029 0.418813 C\n0.657579 0.214098 0.733134 O\n0.204928 0.056483 0.646006 O\n0.204929 0.556482 0.646006 O\n0.453669 0.475602 0.916288 O\n0.453670 0.975602 0.916288 O\n0.059453 0.268122 0.952427 O\n0.059453 0.768122 0.952427 O\n0.657580 0.714097 0.733134 O\n",
            "nsites": 44,
            "nelements": 4,
            "elements": [
                "Ca",
                "H",
                "C",
                "O"
            ],
            "chemical_system": "C-Ca-H-O",
            "density": 1.7897878127976212,
            "density_atomic": 0.11962059767186516,
            "volume": 367.82962847834716,
            "volume_molar": 5.0343677236252535,
            "formula_full": "Ca2 H20 C14 O8",
            "formula_reduced": "CaH10C7O4",
            "formula_anonymous": "AB4C7D10",
            "energy_above_hull": 4.423175655454545,
            "spacegroup": 1
        },
        {
            "id": "jvasp-20791",
            "created_at": "2022-09-04T14:38:35.225808Z",
            "updated_at": "2022-09-04T14:38:35.225838Z",
            "structure_string": "P16 S28\n1.0\n0.000000 6.766485 0.213237\n17.435255 0.000000 0.000000\n0.000000 -6.102717 -9.099381\nP S\n16 28\ndirect\n0.436680 0.619026 0.718225 P\n0.420355 0.832499 0.505322 P\n0.579645 0.167502 0.494677 P\n0.420355 0.667502 0.005322 P\n-0.000118 0.961576 0.227210 P\n0.000117 0.461576 0.272790 P\n0.000117 0.038424 0.772790 P\n-0.000118 0.538425 0.727210 P\n0.579645 0.332499 -0.005323 P\n0.883959 0.291618 0.357182 P\n0.883959 0.208382 0.857182 P\n0.116040 0.708383 0.642818 P\n0.436680 0.880974 0.218225 P\n0.563320 0.380974 0.281775 P\n0.563320 0.119026 0.781775 P\n0.116041 0.791618 0.142818 P\n0.268953 0.989201 0.194182 S\n0.822152 0.633517 0.583392 S\n0.177848 0.133517 0.916607 S\n0.177848 0.366483 0.416607 S\n0.822152 0.866483 0.083392 S\n0.224262 0.742262 0.353061 S\n0.775738 0.257739 0.646939 S\n0.775738 0.242262 0.146939 S\n0.668639 0.635749 0.956840 S\n0.331360 0.135749 0.543159 S\n0.731047 0.489201 0.305818 S\n0.224262 0.757739 0.853061 S\n0.731046 0.010799 0.805818 S\n0.215139 0.954389 0.808860 S\n0.582309 0.804573 0.714941 S\n0.417690 0.304573 0.785059 S\n0.417691 0.195427 0.285059 S\n0.582310 0.695428 0.214941 S\n0.784861 0.045612 0.191139 S\n0.215139 0.545612 0.308860 S\n0.331360 0.364251 0.043159 S\n0.784861 0.454388 0.691139 S\n0.176490 0.924990 0.455584 S\n0.823510 0.424990 0.044415 S\n0.823510 0.075010 0.544415 S\n0.176489 0.575010 0.955584 S\n0.268953 0.510799 0.694181 S\n0.668640 0.864252 0.456840 S\n",
            "nsites": 44,
            "nelements": 2,
            "elements": [
                "P",
                "S"
            ],
            "chemical_system": "P-S",
            "density": 2.201907504159929,
            "density_atomic": 0.041872296881805514,
            "volume": 1050.8141008887196,
            "volume_molar": 14.382160063965253,
            "formula_full": "P16 S28",
            "formula_reduced": "P4S7",
            "formula_anonymous": "A4B7",
            "energy_above_hull": 2.7509765454545456,
            "spacegroup": 14
        },
        {
            "id": "jvasp-112025",
            "created_at": "2022-09-04T14:38:41.875693Z",
            "updated_at": "2022-09-04T14:38:41.875733Z",
            "structure_string": "Sn1 H24 C13 O6\n1.0\n5.032208 0.042799 -0.395730\n-2.876671 7.515382 -3.052561\n-0.141134 -0.078296 9.601137\nSn H C O\n1 24 13 6\ndirect\n0.005842 0.586833 0.161055 Sn\n0.863424 0.364105 0.554710 H\n0.019525 0.769302 0.011864 H\n0.852177 0.346736 0.731886 H\n0.515845 0.011277 0.565353 H\n0.887482 0.075338 0.580164 H\n0.812817 0.112639 0.327997 H\n0.437091 0.015492 0.310295 H\n0.982658 0.795365 0.555456 H\n0.918553 0.006967 0.793903 H\n0.562112 0.539345 0.474647 H\n0.478747 0.719257 0.594545 H\n0.120284 0.543976 0.397203 H\n0.329377 0.259526 0.678725 H\n0.041811 0.663277 0.650629 H\n0.433741 0.897114 0.784937 H\n0.410082 0.101788 0.800558 H\n0.932382 0.867305 0.886806 H\n0.144311 0.139396 0.123943 H\n0.497750 0.275845 0.232975 H\n0.712136 0.142107 0.030439 H\n0.320427 0.271088 0.498169 H\n0.455363 0.965518 0.052193 H\n0.650741 0.584632 0.803055 H\n0.298920 0.541420 0.722172 H\n0.343197 0.996986 0.843959 C\n0.498236 0.527861 0.692546 C\n0.361397 0.206605 0.116718 C\n0.015400 0.909527 0.798779 C\n0.482892 0.074593 0.014402 C\n0.452501 0.328486 0.615463 C\n0.695400 0.093850 0.536038 C\n0.919828 0.748342 0.644547 C\n0.648241 0.023238 0.359621 C\n0.731395 0.291566 0.612733 C\n0.665235 0.839969 0.298594 C\n0.353561 0.347905 0.060554 C\n0.602047 0.632988 0.594630 C\n0.906483 0.827950 0.274290 O\n0.114479 0.684821 0.008326 O\n0.943245 0.488631 0.318994 O\n0.576768 0.447151 0.038252 O\n0.112669 0.363085 0.029986 O\n0.453386 0.704595 0.283535 O\n",
            "nsites": 44,
            "nelements": 4,
            "elements": [
                "Sn",
                "H",
                "C",
                "O"
            ],
            "chemical_system": "C-H-O-Sn",
            "density": 1.8091110493769493,
            "density_atomic": 0.12134784386967316,
            "volume": 362.5939991752612,
            "volume_molar": 4.962709322192607,
            "formula_full": "Sn1 H24 C13 O6",
            "formula_reduced": "SnH24C13O6",
            "formula_anonymous": "AB6C13D24",
            "energy_above_hull": 4.574133470454546,
            "spacegroup": 1
        },
        {
            "id": "jvasp-31819",
            "created_at": "2022-09-04T14:38:15.169225Z",
            "updated_at": "2022-09-04T14:38:15.169253Z",
            "structure_string": "Ge12 Cl32\n1.0\n10.602214 0.000000 6.121190\n3.534071 9.995862 6.121190\n0.000000 0.000000 12.242382\nGe Cl\n12 32\ndirect\n0.000000 0.000000 0.000000 Ge\n0.667814 0.667815 0.667815 Ge\n0.996555 0.667815 0.667815 Ge\n0.667814 0.667815 0.996555 Ge\n0.167815 0.167815 0.167815 Ge\n0.167815 0.496555 0.167815 Ge\n0.496555 0.167815 0.167815 Ge\n0.667814 0.996555 0.667815 Ge\n0.250000 0.250000 0.250000 Ge\n0.750000 0.750000 0.750000 Ge\n0.167815 0.167815 0.496555 Ge\n0.500000 0.500000 0.500000 Ge\n0.169812 0.293015 0.571429 Cl\n0.669811 0.071429 0.793015 Cl\n0.071429 0.669811 0.465743 Cl\n0.669811 0.793015 0.465743 Cl\n0.071429 0.465743 0.793015 Cl\n0.465743 0.793015 0.071429 Cl\n0.169812 0.965743 0.293015 Cl\n0.965743 0.169812 0.571429 Cl\n0.965743 0.293015 0.169812 Cl\n0.571429 0.169812 0.293015 Cl\n0.293015 0.965743 0.571429 Cl\n0.428760 0.428760 0.713718 Cl\n0.965743 0.571429 0.293015 Cl\n0.571429 0.293015 0.965743 Cl\n0.293015 0.571429 0.169812 Cl\n0.293015 0.169812 0.965743 Cl\n0.169812 0.571429 0.965743 Cl\n0.071429 0.793015 0.669812 Cl\n0.669811 0.465743 0.071429 Cl\n0.465743 0.669811 0.793015 Cl\n0.793015 0.071429 0.465743 Cl\n0.793015 0.669811 0.071430 Cl\n0.465743 0.071429 0.669812 Cl\n0.928760 0.928760 0.213718 Cl\n0.428760 0.713717 0.428761 Cl\n0.428760 0.428760 0.428761 Cl\n0.713717 0.428760 0.428761 Cl\n0.213717 0.928760 0.928760 Cl\n0.928760 0.213717 0.928761 Cl\n0.928760 0.928760 0.928761 Cl\n0.793015 0.465743 0.669812 Cl\n0.571429 0.965743 0.169812 Cl\n",
            "nsites": 44,
            "nelements": 2,
            "elements": [
                "Ge",
                "Cl"
            ],
            "chemical_system": "Cl-Ge",
            "density": 2.5676473957495975,
            "density_atomic": 0.03391329065656174,
            "volume": 1297.4264410253159,
            "volume_molar": 17.757465121818843,
            "formula_full": "Ge12 Cl32",
            "formula_reduced": "Ge3Cl8",
            "formula_anonymous": "A3B8",
            "energy_above_hull": 0.2790454899999999,
            "spacegroup": 219
        },
        {
            "id": "jvasp-22075",
            "created_at": "2022-09-04T14:38:14.764546Z",
            "updated_at": "2022-09-04T14:38:14.764579Z",
            "structure_string": "Tm8 Ge8 O28\n1.0\n6.780719 0.000000 0.000000\n0.000000 6.780719 -0.000000\n0.000000 -0.000000 12.347134\nTm Ge O\n8 8 28\ndirect\n0.644328 0.127521 0.364044 Tm\n0.355672 0.872479 0.864044 Tm\n0.127521 0.644328 0.635956 Tm\n0.627521 0.855672 0.114044 Tm\n0.372479 0.144328 0.614044 Tm\n0.855672 0.627521 0.885956 Tm\n0.144328 0.372479 0.385956 Tm\n0.872479 0.355672 0.135956 Tm\n0.898341 0.149934 0.617796 Ge\n0.649934 0.601659 0.367796 Ge\n0.398341 0.350067 0.132204 Ge\n0.350067 0.398341 0.867796 Ge\n0.101659 0.850067 0.117796 Ge\n0.149934 0.898341 0.382204 Ge\n0.850067 0.101659 0.882203 Ge\n0.601659 0.649934 0.632204 Ge\n0.066672 0.337870 0.570500 O\n0.800572 0.199428 0.750000 O\n0.300572 0.300572 0.000000 O\n0.699428 0.699428 0.500000 O\n0.199428 0.800572 0.250000 O\n0.536085 0.579417 0.871686 O\n0.463915 0.420583 0.371686 O\n0.579417 0.536085 0.128313 O\n0.420583 0.463915 0.628313 O\n0.920583 0.036085 0.121687 O\n0.162130 0.566672 0.820500 O\n0.079417 0.963915 0.621686 O\n0.837870 0.433328 0.320500 O\n0.644021 0.822920 0.293099 O\n0.433328 0.837870 0.679499 O\n0.933328 0.662130 0.070500 O\n0.337870 0.066672 0.429499 O\n0.662130 0.933328 0.929499 O\n0.677080 0.144021 0.543098 O\n0.355979 0.177080 0.793098 O\n0.963915 0.079417 0.378313 O\n0.177080 0.355979 0.206901 O\n0.822920 0.644021 0.706901 O\n0.322920 0.855979 0.043099 O\n0.144021 0.677080 0.456901 O\n0.855979 0.322920 0.956901 O\n0.566672 0.162130 0.179500 O\n0.036085 0.920583 0.878313 O\n",
            "nsites": 44,
            "nelements": 3,
            "elements": [
                "Tm",
                "Ge",
                "O"
            ],
            "chemical_system": "Ge-O-Tm",
            "density": 6.9632767014463575,
            "density_atomic": 0.07750594588244994,
            "volume": 567.6983810601187,
            "volume_molar": 7.7699080908367115,
            "formula_full": "Tm8 Ge8 O28",
            "formula_reduced": "Tm2Ge2O7",
            "formula_anonymous": "A2B2C7",
            "energy_above_hull": 2.072663172727273,
            "spacegroup": 92
        },
        {
            "id": "jvasp-30780",
            "created_at": "2022-09-04T14:38:04.891847Z",
            "updated_at": "2022-09-04T14:38:04.891862Z",
            "structure_string": "Mg4 Ti12 O28\n1.0\n5.459642 0.000000 -0.000000\n0.000000 10.396875 0.000000\n-0.000000 0.000000 9.926486\nMg Ti O\n4 12 28\ndirect\n0.620150 0.750000 0.937100 Mg\n0.120150 0.250000 0.562901 Mg\n0.379849 0.250000 0.062900 Mg\n0.879849 0.750000 0.437100 Mg\n0.736030 0.970687 0.686341 Ti\n0.263970 0.470687 0.313659 Ti\n0.763970 0.529314 0.186341 Ti\n0.225140 0.750000 0.713286 Ti\n0.725140 0.250000 0.786715 Ti\n0.236030 0.029313 0.813659 Ti\n0.274859 0.750000 0.213285 Ti\n0.236030 0.470687 0.813659 Ti\n0.736030 0.529314 0.686341 Ti\n0.763970 0.970687 0.186341 Ti\n0.263970 0.029313 0.313659 Ti\n0.774859 0.250000 0.286715 Ti\n0.001637 0.616863 0.775477 O\n0.200508 0.750000 0.541733 O\n0.700508 0.250000 0.958267 O\n0.799491 0.250000 0.458267 O\n0.299491 0.750000 0.041733 O\n0.760736 0.906554 0.028834 O\n0.739264 0.593447 0.528835 O\n0.260736 0.093447 0.471166 O\n0.760736 0.593447 0.028834 O\n0.260736 0.406553 0.471166 O\n0.501637 0.383137 0.724523 O\n0.239264 0.406553 0.971166 O\n0.998363 0.116863 0.224523 O\n0.525668 0.122774 0.217321 O\n0.998363 0.383137 0.224523 O\n0.498363 0.616863 0.275477 O\n0.001637 0.883137 0.775477 O\n0.501637 0.116863 0.724523 O\n0.474331 0.622774 0.782680 O\n0.974331 0.377226 0.717321 O\n0.239264 0.093447 0.971166 O\n0.025669 0.877227 0.282679 O\n0.525668 0.377226 0.217321 O\n0.025669 0.622774 0.282679 O\n0.474331 0.877227 0.782680 O\n0.974331 0.122774 0.717321 O\n0.498363 0.883137 0.275477 O\n0.739264 0.906554 0.528835 O\n",
            "nsites": 44,
            "nelements": 3,
            "elements": [
                "Mg",
                "Ti",
                "O"
            ],
            "chemical_system": "Mg-O-Ti",
            "density": 3.299531335042297,
            "density_atomic": 0.07808905252976002,
            "volume": 563.459263169206,
            "volume_molar": 7.7118886257519135,
            "formula_full": "Mg4 Ti12 O28",
            "formula_reduced": "MgTi3O7",
            "formula_anonymous": "AB3C7",
            "energy_above_hull": 2.743861686363636,
            "spacegroup": 62
        },
        {
            "id": "jvasp-21025",
            "created_at": "2022-09-04T14:38:17.984316Z",
            "updated_at": "2022-09-04T14:38:17.984333Z",
            "structure_string": "Na10 Al6 F28\n1.0\n7.024663 -0.000000 0.000000\n-0.000000 7.024663 0.000000\n-0.000000 -0.000000 10.460269\nNa Al F\n10 6 28\ndirect\n0.000000 0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.279645 0.779645 0.250000 Na\n0.220355 0.279645 0.250000 Na\n0.779645 0.720355 0.250000 Na\n0.720355 0.220355 0.250000 Na\n0.279645 0.779645 0.750000 Na\n0.220355 0.279645 0.750000 Na\n0.779645 0.720355 0.750000 Na\n0.720355 0.220355 0.750000 Na\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.000000 Al\n0.459186 0.180880 0.121080 F\n0.926817 0.752104 0.000000 F\n0.426817 0.747895 0.500000 F\n0.573183 0.252105 0.500000 F\n0.247895 0.926817 0.000000 F\n0.752104 0.073183 0.000000 F\n0.073183 0.247895 0.000000 F\n0.500000 0.500000 0.673436 F\n0.000000 0.000000 0.826564 F\n0.500000 0.500000 0.326564 F\n0.000000 0.000000 0.173436 F\n0.180880 0.540814 0.121080 F\n0.540814 0.819119 0.121080 F\n0.459186 0.180880 0.878920 F\n0.319119 0.040814 0.378920 F\n0.819119 0.459186 0.121080 F\n0.040814 0.680880 0.378920 F\n0.959186 0.319119 0.378920 F\n0.819119 0.459186 0.878920 F\n0.540814 0.819119 0.878920 F\n0.747895 0.573183 0.500000 F\n0.319119 0.040814 0.621080 F\n0.680880 0.959186 0.621080 F\n0.180880 0.540814 0.878920 F\n0.959186 0.319119 0.621080 F\n0.040814 0.680880 0.621080 F\n0.680880 0.959186 0.378920 F\n0.252105 0.426817 0.500000 F\n",
            "nsites": 44,
            "nelements": 3,
            "elements": [
                "Na",
                "Al",
                "F"
            ],
            "chemical_system": "Al-F-Na",
            "density": 2.971707405700281,
            "density_atomic": 0.0852430214082675,
            "volume": 516.1712862014127,
            "volume_molar": 7.0646730494889844,
            "formula_full": "Na10 Al6 F28",
            "formula_reduced": "Na5Al3F14",
            "formula_anonymous": "A3B5C14",
            "energy_above_hull": 0.3173127272727273,
            "spacegroup": 128
        },
        {
            "id": "jvasp-24308",
            "created_at": "2022-09-04T14:38:18.449454Z",
            "updated_at": "2022-09-04T14:38:18.449470Z",
            "structure_string": "Rb4 Lu4 P8 O28\n1.0\n0.000000 7.652819 -0.017650\n10.737528 0.000000 0.000000\n0.000000 -2.270803 -8.314006\nRb Lu P O\n4 4 8 28\ndirect\n0.186889 0.683681 0.053626 Rb\n0.186889 0.816319 0.553627 Rb\n0.813112 0.183681 0.446374 Rb\n0.813112 0.316319 0.946374 Rb\n0.232994 0.097053 0.255872 Lu\n0.767007 0.902948 0.744128 Lu\n0.767007 0.597053 0.244128 Lu\n0.232994 0.402948 0.755872 Lu\n0.864506 0.597309 0.677808 P\n0.441912 0.360386 0.186920 P\n0.135494 0.402691 0.322192 P\n0.864506 0.902691 0.177808 P\n0.441912 0.139614 0.686920 P\n0.135494 0.097309 0.822192 P\n0.558089 0.860386 0.313081 P\n0.558089 0.639614 0.813081 P\n0.986099 0.497643 0.779086 O\n0.549421 0.721965 0.270358 O\n0.450579 0.278035 0.729643 O\n0.450579 0.221965 0.229642 O\n0.668125 0.609711 0.983301 O\n0.080692 0.227769 0.754091 O\n0.338897 0.069288 0.805996 O\n0.145065 0.411675 0.499137 O\n0.331876 0.390289 0.016699 O\n0.631677 0.416594 0.228833 O\n0.668124 0.890289 0.483301 O\n0.631677 0.083406 0.728833 O\n0.661104 0.569288 0.694005 O\n0.338896 0.430713 0.305995 O\n0.986098 0.002357 0.279086 O\n0.331876 0.109711 0.516699 O\n0.854936 0.911675 0.000863 O\n0.919309 0.727769 0.745909 O\n0.661104 0.930713 0.194005 O\n0.549422 0.778036 0.770358 O\n0.080691 0.272231 0.254091 O\n0.368323 0.916594 0.271168 O\n0.368324 0.583406 0.771168 O\n0.145065 0.088326 0.999137 O\n0.919309 0.772231 0.245909 O\n0.013902 0.502357 0.220914 O\n0.013902 -0.002357 0.720915 O\n0.854936 0.588326 0.500863 O\n",
            "nsites": 44,
            "nelements": 4,
            "elements": [
                "Rb",
                "Lu",
                "P",
                "O"
            ],
            "chemical_system": "Lu-O-P-Rb",
            "density": 4.220534555357391,
            "density_atomic": 0.0643640113468252,
            "volume": 683.6118364796467,
            "volume_molar": 9.356378873823944,
            "formula_full": "Rb4 Lu4 P8 O28",
            "formula_reduced": "RbLuP2O7",
            "formula_anonymous": "ABC2D7",
            "energy_above_hull": 2.2967210227272727,
            "spacegroup": 14
        },
        {
            "id": "jvasp-33593",
            "created_at": "2022-09-04T14:38:05.308941Z",
            "updated_at": "2022-09-04T14:38:05.308951Z",
            "structure_string": "Mo2 Pd2 H24 N8 O8\n1.0\n-3.732566 3.732770 7.773051\n3.732566 -3.732273 7.772812\n3.732566 3.732273 -7.772812\nMo Pd H N O\n2 2 24 8 8\ndirect\n0.875001 0.124999 0.750002 Mo\n0.124999 0.875002 0.249998 Mo\n0.375000 0.625001 0.750000 Pd\n0.625000 0.374999 0.250000 Pd\n0.014126 0.708348 0.528781 H\n0.679568 0.708347 0.194224 H\n0.708347 0.014119 0.028777 H\n0.485347 0.014122 0.805778 H\n0.679568 0.485345 0.971221 H\n0.708347 0.679569 0.694227 H\n0.485347 0.679569 0.471224 H\n0.985874 0.291653 0.471220 H\n0.320432 0.291653 0.805777 H\n0.291653 0.985881 0.971223 H\n0.014126 0.485346 0.305779 H\n0.985874 0.514655 0.694221 H\n0.514653 0.985878 0.194223 H\n0.309483 0.249644 0.440166 H\n0.249646 0.309480 0.940168 H\n0.869317 0.309478 0.559838 H\n0.309483 0.869317 0.059841 H\n0.750354 0.690521 0.059832 H\n0.690517 0.750357 0.559835 H\n0.130683 0.690522 0.440162 H\n0.690517 0.130683 0.940160 H\n0.514653 0.320431 0.528776 H\n0.291653 0.320432 0.305774 H\n0.320432 0.514656 0.028780 H\n0.651535 0.625605 0.025932 N\n0.099671 0.625604 0.474068 N\n0.625602 0.099669 0.974065 N\n0.625602 0.651536 0.525933 N\n0.348465 0.374396 0.974069 N\n0.900329 0.374397 0.525932 N\n0.374398 0.348464 0.474067 N\n0.374398 0.900331 0.025936 N\n0.255362 0.809496 0.445868 O\n0.190503 0.136368 0.445862 O\n0.136360 0.190503 0.945858 O\n0.744638 0.190505 0.554133 O\n0.190504 0.744642 0.054136 O\n0.809496 0.863632 0.554139 O\n0.863640 0.809498 0.054143 O\n0.809496 0.255359 0.945864 O\n",
            "nsites": 44,
            "nelements": 5,
            "elements": [
                "Mo",
                "Pd",
                "H",
                "N",
                "O"
            ],
            "chemical_system": "H-Mo-N-O-Pd",
            "density": 2.5644497117969025,
            "density_atomic": 0.10157761963830658,
            "volume": 433.1662836427295,
            "volume_molar": 5.9286098467786426,
            "formula_full": "Mo2 Pd2 H24 N8 O8",
            "formula_reduced": "MoH12Pd(NO)4",
            "formula_anonymous": "ABC4D4E12",
            "energy_above_hull": 3.937720845454545,
            "spacegroup": 141
        }
    ]
}