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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=1268",
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"results": [
{
"id": "jvasp-22542",
"created_at": "2022-09-04T14:37:27.804804Z",
"updated_at": "2022-09-04T14:37:27.804841Z",
"structure_string": "Na1 H1 S1\n1.0\n3.927332 -0.024485 -0.018530\n1.442129 3.653053 -0.018530\n1.442129 0.974560 3.520706\nNa H S\n1 1 1\ndirect\n0.498617 0.498617 0.498618 Na\n0.856921 0.856922 0.856923 H\n0.008461 0.008461 0.008461 S\n",
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{
"id": "jvasp-51709",
"created_at": "2022-09-04T14:38:04.662946Z",
"updated_at": "2022-09-04T14:38:04.662962Z",
"structure_string": "Na8 H12 Ru2\n1.0\n4.527819 2.614137 3.758700\n-4.527819 2.614137 3.758700\n-0.000000 -5.228275 3.758700\nNa H Ru\n8 12 2\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.749999 Na\n0.625847 0.874154 0.249999 Na\n0.874154 0.250000 0.625846 Na\n0.250000 0.625847 0.874153 Na\n0.125847 0.750000 0.374153 Na\n0.750000 0.374154 0.125846 Na\n0.374154 0.125847 0.749999 Na\n0.261769 0.947895 0.058737 H\n0.058738 0.261770 0.947894 H\n0.947895 0.058738 0.261769 H\n0.558738 0.447895 0.761768 H\n0.761770 0.558738 0.447894 H\n0.447895 0.761770 0.558737 H\n0.441263 0.552105 0.238230 H\n0.941263 0.738231 0.052104 H\n0.052105 0.941263 0.738230 H\n0.500000 0.500000 0.499999 H\n0.238231 0.441263 0.552104 H\n0.552105 0.238231 0.441262 H\n0.738231 0.052105 0.941261 Ru\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 22,
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"elements": [
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"H",
"Ru"
],
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"volume": 266.93552242954405,
"volume_molar": 7.3069240450675075,
"formula_full": "Na8 H12 Ru2",
"formula_reduced": "Na4H6Ru",
"formula_anonymous": "AB4C6",
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"spacegroup": 1
},
{
"id": "jvasp-37115",
"created_at": "2022-09-04T14:38:05.041159Z",
"updated_at": "2022-09-04T14:38:05.041183Z",
"structure_string": "Rb1 Na1 H2\n1.0\n3.922598 -0.000000 -0.000000\n0.000000 3.922598 0.000000\n0.000000 0.000000 5.549978\nRb Na H\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 H\n0.500000 0.500000 0.500000 H\n",
"nsites": 4,
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"elements": [
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"Na",
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],
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"density": 2.148167514989946,
"density_atomic": 0.04684045710571107,
"volume": 85.39626312725066,
"volume_molar": 12.856707923257531,
"formula_full": "Rb1 Na1 H2",
"formula_reduced": "RbNaH2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8278872500000001,
"spacegroup": 123
},
{
"id": "jvasp-92182",
"created_at": "2022-09-04T14:36:14.773221Z",
"updated_at": "2022-09-04T14:36:14.773241Z",
"structure_string": "Rb3 Na1 H4\n1.0\n5.775689 -0.000000 -0.000000\n-0.000000 5.775689 0.000000\n-0.000000 -0.000000 5.775689\nRb Na H\n3 1 4\ndirect\n0.000000 0.000000 0.500000 Rb\n0.000000 0.500000 0.000000 Rb\n0.500000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Na\n0.500000 0.500000 0.000000 H\n0.500000 0.000000 0.500000 H\n0.000000 0.500000 0.500000 H\n0.000000 0.000000 0.000000 H\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Rb",
"Na",
"H"
],
"chemical_system": "H-Na-Rb",
"density": 2.4427315650214254,
"density_atomic": 0.0415220308697829,
"volume": 192.6688033417434,
"volume_molar": 14.503483172309213,
"formula_full": "Rb3 Na1 H4",
"formula_reduced": "Rb3NaH4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.958857375,
"spacegroup": 221
},
{
"id": "jvasp-91772",
"created_at": "2022-09-04T14:36:22.611590Z",
"updated_at": "2022-09-04T14:36:22.611617Z",
"structure_string": "Rb1 Na3 H4\n1.0\n5.251223 0.000000 -0.000000\n0.000000 5.251223 -0.000000\n0.000000 0.000000 5.251223\nRb Na H\n1 3 4\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.500000 Na\n0.000000 0.500000 0.000000 Na\n0.500000 0.000000 0.000000 Na\n0.500000 0.500000 0.000000 H\n0.500000 0.000000 0.500000 H\n0.000000 0.500000 0.500000 H\n0.000000 0.000000 0.000000 H\n",
"nsites": 8,
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"elements": [
"Rb",
"Na",
"H"
],
"chemical_system": "H-Na-Rb",
"density": 1.8172374069209565,
"density_atomic": 0.05524698755920533,
"volume": 144.80427537206106,
"volume_molar": 10.900396611754413,
"formula_full": "Rb1 Na3 H4",
"formula_reduced": "RbNa3H4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.028884625,
"spacegroup": 221
},
{
"id": "jvasp-22686",
"created_at": "2022-09-04T14:36:42.477919Z",
"updated_at": "2022-09-04T14:36:42.477930Z",
"structure_string": "Na2 H6 Pt1\n1.0\n3.638354 3.638354 -0.000000\n-0.000000 3.638354 3.638354\n3.638354 -0.000000 3.638354\nNa H Pt\n2 6 1\ndirect\n0.749999 0.749999 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.227598 0.772401 0.772401 H\n0.227598 0.227598 0.772401 H\n0.227598 0.772401 0.227598 H\n0.772401 0.227598 0.227598 H\n0.772401 0.772401 0.227598 H\n0.772401 0.227598 0.772401 H\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 9,
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"elements": [
"Na",
"H",
"Pt"
],
"chemical_system": "H-Na-Pt",
"density": 4.259872857885804,
"density_atomic": 0.09343243278359198,
"volume": 96.32629411294238,
"volume_molar": 6.445450022636648,
"formula_full": "Na2 H6 Pt1",
"formula_reduced": "Na2H6Pt",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.1476966000000006,
"spacegroup": 225
},
{
"id": "jvasp-22691",
"created_at": "2022-09-04T14:36:57.133752Z",
"updated_at": "2022-09-04T14:36:57.133777Z",
"structure_string": "Na2 H4 Pt1\n1.0\n-2.606772 2.606772 3.332547\n2.606772 -2.606772 3.332547\n2.606772 2.606772 -3.332547\nNa H Pt\n2 4 1\ndirect\n0.750000 0.250000 0.500000 Na\n0.250000 0.750000 0.500000 Na\n0.225570 0.225570 0.451139 H\n0.774430 0.774430 0.548860 H\n0.225570 0.774430 0.000000 H\n0.774430 0.225570 0.000000 H\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Na",
"H",
"Pt"
],
"chemical_system": "H-Na-Pt",
"density": 4.493054729258305,
"density_atomic": 0.07727796385001968,
"volume": 90.58209677451558,
"volume_molar": 7.7928305301724965,
"formula_full": "Na2 H4 Pt1",
"formula_reduced": "Na2H4Pt",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.818789914285714,
"spacegroup": 139
},
{
"id": "jvasp-92356",
"created_at": "2022-09-04T14:35:51.826843Z",
"updated_at": "2022-09-04T14:35:51.826868Z",
"structure_string": "Na2 H2 Pd1\n1.0\n3.411681 0.000000 -1.033912\n-0.313328 3.397263 -1.033912\n0.007018 0.007694 6.169009\nNa H Pd\n2 2 1\ndirect\n0.640302 0.640301 0.280604 Na\n0.359698 0.359697 0.719396 Na\n0.848708 0.848706 0.697416 H\n0.151292 0.151291 0.302584 H\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 5,
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"elements": [
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"H",
"Pd"
],
"chemical_system": "H-Na-Pd",
"density": 3.5834156441178986,
"density_atomic": 0.06987590235212318,
"volume": 71.55542657329383,
"volume_molar": 8.618337019324398,
"formula_full": "Na2 H2 Pd1",
"formula_reduced": "Na2H2Pd",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.0862667399999997,
"spacegroup": 139
},
{
"id": "jvasp-51748",
"created_at": "2022-09-04T14:36:35.321062Z",
"updated_at": "2022-09-04T14:36:35.321078Z",
"structure_string": "Na1 H2 Pd3\n1.0\n2.849128 4.327882 0.000000\n-2.849128 4.327882 0.000000\n0.000000 0.000000 2.839602\nNa H Pd\n1 2 3\ndirect\n0.500000 0.500000 0.000000 Na\n0.784922 0.784922 0.000000 H\n0.215078 0.215078 0.000000 H\n0.000000 0.000000 0.000000 Pd\n-0.000000 0.500000 0.500000 Pd\n0.500000 -0.000000 0.500000 Pd\n",
"nsites": 6,
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],
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"formula_full": "Na1 H2 Pd3",
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"formula_anonymous": "AB2C3",
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"spacegroup": 65
},
{
"id": "jvasp-51744",
"created_at": "2022-09-04T14:38:16.186897Z",
"updated_at": "2022-09-04T14:38:16.186925Z",
"structure_string": "Na2 H4 Pd1\n1.0\n-2.640708 2.640708 3.273443\n2.640708 -2.640708 3.273443\n2.640708 2.640708 -3.273443\nNa H Pd\n2 4 1\ndirect\n0.750000 0.250000 0.500000 Na\n0.250000 0.750000 0.500000 Na\n0.222249 0.222249 0.444496 H\n0.777751 0.777751 0.555505 H\n0.222248 0.777751 0.000000 H\n0.777751 0.222248 0.000000 H\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 7,
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"elements": [
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],
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"density": 2.844901349610343,
"density_atomic": 0.07666418151295842,
"volume": 91.3073075568778,
"volume_molar": 7.855220836058997,
"formula_full": "Na2 H4 Pd1",
"formula_reduced": "Na2H4Pd",
"formula_anonymous": "AB2C4",
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"spacegroup": 139
},
{
"id": "jvasp-51745",
"created_at": "2022-09-04T14:37:33.026650Z",
"updated_at": "2022-09-04T14:37:33.026666Z",
"structure_string": "Na3 V1 H6 O7\n1.0\n4.236970 2.446216 2.595575\n-4.236970 2.446216 2.595575\n-0.000000 -4.892430 2.595575\nNa V H O\n3 1 6 7\ndirect\n0.624145 0.429621 0.179598 Na\n0.429621 0.179598 0.624144 Na\n0.179599 0.624145 0.429620 Na\n0.997650 0.997650 0.997649 V\n0.608830 0.922759 0.254285 H\n0.922759 0.254286 0.608829 H\n0.254286 0.608830 0.922758 H\n0.511546 0.752743 0.880663 H\n0.880664 0.511546 0.752741 H\n0.752743 0.880665 0.511545 H\n0.396452 0.582710 0.837405 O\n0.218109 0.218109 0.218108 O\n0.998384 0.693698 0.046306 O\n0.693697 0.046307 0.998383 O\n0.046307 0.998384 0.693697 O\n0.837406 0.396452 0.582709 O\n0.582710 0.837406 0.396451 O\n",
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"elements": [
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],
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"density": 2.447978806448716,
"density_atomic": 0.105320767546855,
"volume": 161.41166073858184,
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"formula_full": "Na3 V1 H6 O7",
"formula_reduced": "Na3VH6O7",
"formula_anonymous": "AB3C6D7",
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"spacegroup": 146
},
{
"id": "jvasp-98636",
"created_at": "2022-09-04T14:36:17.952139Z",
"updated_at": "2022-09-04T14:36:17.952152Z",
"structure_string": "Na8 Te4 H40 O32\n1.0\n6.677936 3.678778 -0.847417\n-6.677936 3.678778 0.847417\n0.104157 0.000000 17.021862\nNa Te H O\n8 4 40 32\ndirect\n0.469051 0.564037 0.575156 Na\n0.564037 0.469051 0.924844 Na\n0.530950 0.435963 0.424844 Na\n0.435963 0.530949 0.075156 Na\n0.516372 0.516371 0.750000 Na\n0.483629 0.483629 0.250000 Na\n0.000000 0.500000 0.500000 Na\n0.500000 -0.000000 -0.000000 Na\n0.147325 0.825570 0.183255 Te\n0.825570 0.147325 0.316745 Te\n0.852676 0.174430 0.816745 Te\n0.174431 0.852675 0.683255 Te\n0.875270 0.768186 0.342713 H\n0.768186 0.875270 0.157287 H\n0.832045 0.843293 0.455188 H\n0.843293 0.832045 0.044812 H\n0.167956 0.156707 0.544812 H\n0.156707 0.167955 0.955188 H\n0.874138 0.805236 0.545536 H\n0.125863 0.194764 0.454464 H\n0.588076 0.911045 0.655866 H\n0.795906 0.901209 0.655619 H\n0.901209 0.795906 0.844381 H\n0.204095 0.098791 0.344381 H\n0.098791 0.204095 0.155619 H\n0.231814 0.124730 0.842713 H\n0.911045 0.588076 0.844134 H\n0.411924 0.088956 0.344134 H\n0.088956 0.411924 0.155866 H\n0.194764 0.125862 0.045536 H\n0.124730 0.231814 0.657287 H\n0.805236 0.874138 0.954463 H\n0.877771 0.556792 0.340050 H\n0.556792 0.877770 0.159950 H\n0.774418 0.469308 0.646701 H\n0.469309 0.774418 0.853299 H\n0.530692 0.225583 0.146701 H\n0.554886 0.253250 0.647318 H\n0.253251 0.554886 0.852682 H\n0.445115 0.746750 0.352682 H\n0.746750 0.445115 0.147318 H\n0.432964 0.840471 0.458918 H\n0.225583 0.530692 0.353299 H\n0.567037 0.159529 0.541082 H\n0.159530 0.567036 0.958918 H\n0.366013 0.851294 0.543598 H\n0.851295 0.366013 0.956402 H\n0.633988 0.148706 0.456402 H\n0.148706 0.633987 0.043598 H\n0.122230 0.443208 0.659950 H\n0.840471 0.432964 0.041082 H\n0.443209 0.122230 0.840050 H\n0.755959 0.341671 0.997728 O\n0.733545 0.780757 0.000942 O\n0.219244 0.266456 0.500942 O\n0.266456 0.219244 0.999058 O\n0.651973 0.828592 0.673527 O\n0.828593 0.651973 0.826473 O\n0.348027 0.171408 0.326473 O\n0.376772 0.595943 0.345760 O\n0.623228 0.404057 0.654240 O\n0.404058 0.623228 0.845759 O\n0.595943 0.376772 0.154240 O\n0.341671 0.755959 0.502272 O\n0.780757 0.733544 0.499058 O\n0.171408 0.348027 0.173527 O\n0.622331 0.794257 0.172598 O\n0.992655 0.420561 0.874260 O\n0.377670 0.205743 0.827402 O\n0.205743 0.377669 0.672597 O\n0.402497 0.968547 0.134035 O\n0.968547 0.402497 0.365965 O\n0.597503 0.031454 0.865965 O\n0.031454 0.597503 0.634035 O\n0.007345 0.579440 0.125740 O\n0.579440 0.007345 0.374260 O\n0.420561 0.992655 0.625740 O\n0.023792 0.962446 0.125514 O\n0.962447 0.023792 0.374486 O\n0.976208 0.037554 0.874486 O\n0.037554 0.976208 0.625514 O\n0.658329 0.244042 0.497728 O\n0.794258 0.622331 0.327402 O\n0.244042 0.658329 0.002272 O\n",
"nsites": 84,
"nelements": 4,
"elements": [
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"Te",
"H",
"O"
],
"chemical_system": "H-Na-O-Te",
"density": 2.4732157201082825,
"density_atomic": 0.10035968675928437,
"volume": 836.9894597367212,
"volume_molar": 6.000557549012961,
"formula_full": "Na8 Te4 H40 O32",
"formula_reduced": "Na2Te(H5O4)2",
"formula_anonymous": "AB2C8D10",
"energy_above_hull": 2.6292777984126987,
"spacegroup": 15
}
]
}