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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=1537",
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"results": [
{
"id": "jvasp-114950",
"created_at": "2022-09-04T14:38:43.839516Z",
"updated_at": "2022-09-04T14:38:43.839545Z",
"structure_string": "Ga2 I1\n1.0\n6.325795 0.000000 1.024562\n0.000000 3.691627 0.000000\n1.026673 0.000000 4.673763\nGa I\n2 1\ndirect\n-0.095275 0.000000 -0.016369 Ga\n0.029110 0.000000 0.422193 Ga\n0.466165 0.000000 -0.005824 I\n",
"nsites": 3,
"nelements": 2,
"elements": [
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],
"chemical_system": "Ga-I",
"density": 4.201807026218559,
"density_atomic": 0.02850065182951206,
"volume": 105.2607504539085,
"volume_molar": 21.129835191222362,
"formula_full": "Ga2 I1",
"formula_reduced": "Ga2I",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-114952",
"created_at": "2022-09-04T14:38:43.894415Z",
"updated_at": "2022-09-04T14:38:43.894431Z",
"structure_string": "Ga1 I1\n1.0\n5.376953 -0.000000 -0.000000\n-2.688477 4.656578 -0.000000\n-0.000000 0.000000 4.405441\nGa I\n1 1\ndirect\n0.000000 0.000000 0.000000 Ga\n0.333333 0.666667 0.000000 I\n",
"nsites": 2,
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"elements": [
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],
"chemical_system": "Ga-I",
"density": 2.9600617911093505,
"density_atomic": 0.01813165654882146,
"volume": 110.30431745796542,
"volume_molar": 33.21340630837966,
"formula_full": "Ga1 I1",
"formula_reduced": "GaI",
"formula_anonymous": "AB",
"energy_above_hull": 0.16972,
"spacegroup": 187
},
{
"id": "jvasp-114957",
"created_at": "2022-09-04T14:38:44.327736Z",
"updated_at": "2022-09-04T14:38:44.327772Z",
"structure_string": "Ga1 I3\n1.0\n7.305507 0.000000 0.000000\n-3.652753 6.326754 -0.000000\n0.000000 -0.000000 4.419587\nGa I\n1 3\ndirect\n0.000000 0.000000 0.000000 Ga\n0.341807 0.000000 0.000000 I\n1.000000 0.341807 0.000000 I\n0.658193 0.658193 0.000000 I\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"I"
],
"chemical_system": "Ga-I",
"density": 3.6615889510598394,
"density_atomic": 0.01958154677252962,
"volume": 204.27395478336183,
"volume_molar": 30.754162732682005,
"formula_full": "Ga1 I3",
"formula_reduced": "GaI3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.03225,
"spacegroup": 189
},
{
"id": "jvasp-114964",
"created_at": "2022-09-04T14:38:43.478504Z",
"updated_at": "2022-09-04T14:38:43.478514Z",
"structure_string": "Ga1 I3\n1.0\n7.323511 -0.142595 -0.714511\n-2.512954 -5.436572 0.729729\n0.761491 -0.892117 -3.997259\nGa I\n1 3\ndirect\n0.574633 0.568001 0.116120 Ga\n0.912640 0.952684 -0.051688 I\n0.236269 0.614547 0.283857 I\n0.574853 0.274629 0.616280 I\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ga",
"I"
],
"chemical_system": "Ga-I",
"density": 4.654114555244948,
"density_atomic": 0.024889402679091288,
"volume": 160.71096810050244,
"volume_molar": 24.195601789427386,
"formula_full": "Ga1 I3",
"formula_reduced": "GaI3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 44
},
{
"id": "jvasp-114960",
"created_at": "2022-09-04T14:38:44.331801Z",
"updated_at": "2022-09-04T14:38:44.331827Z",
"structure_string": "Ga1 I2\n1.0\n5.654107 0.000000 0.000000\n0.000000 4.370648 0.000000\n0.000000 0.000000 6.501169\nGa I\n1 2\ndirect\n0.428437 0.000000 0.000000 Ga\n-0.014218 0.000000 0.746606 I\n-0.014218 0.000000 0.253393 I\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ga",
"I"
],
"chemical_system": "Ga-I",
"density": 3.3439898426981878,
"density_atomic": 0.01867325143202059,
"volume": 160.65761289197062,
"volume_molar": 32.250091966701255,
"formula_full": "Ga1 I2",
"formula_reduced": "GaI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1403416666666666,
"spacegroup": 25
},
{
"id": "jvasp-114953",
"created_at": "2022-09-04T14:38:44.258847Z",
"updated_at": "2022-09-04T14:38:44.258875Z",
"structure_string": "Ga2 I1\n1.0\n5.728595 0.000000 0.000000\n0.000000 3.708807 0.000000\n0.000000 0.000000 5.141646\nGa I\n2 1\ndirect\n-0.033494 0.000000 0.752424 Ga\n-0.033494 0.000000 0.247577 Ga\n0.466989 0.000000 0.000000 I\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ga",
"I"
],
"chemical_system": "Ga-I",
"density": 4.048722759407782,
"density_atomic": 0.027462288724846448,
"volume": 109.24071296671484,
"volume_molar": 21.928765006943795,
"formula_full": "Ga2 I1",
"formula_reduced": "Ga2I",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0209999999999999,
"spacegroup": 47
},
{
"id": "jvasp-111701",
"created_at": "2022-09-04T14:38:41.683029Z",
"updated_at": "2022-09-04T14:38:41.683055Z",
"structure_string": "Sr4 Ga4 H20\n1.0\n4.718614 0.000000 0.000000\n-0.000000 8.509369 0.000000\n0.000000 0.000000 8.813851\nSr Ga H\n4 4 20\ndirect\n0.749999 0.494188 0.317177 Sr\n0.250000 0.505812 0.682823 Sr\n0.250000 0.005812 0.817177 Sr\n0.749999 0.994188 0.182823 Sr\n0.749999 0.336997 0.916881 Ga\n0.250000 0.663003 0.083119 Ga\n0.250000 0.163003 0.416881 Ga\n0.749999 0.836997 0.583119 Ga\n0.749999 0.974176 0.911689 H\n0.975009 0.725652 0.168861 H\n0.475009 0.274348 0.831139 H\n0.250000 0.714504 0.908403 H\n0.975009 0.225652 0.331139 H\n0.749999 0.285496 0.091596 H\n0.250000 0.025824 0.088311 H\n0.475009 0.774348 0.668861 H\n0.250000 0.525824 0.411689 H\n0.250000 0.475359 0.098222 H\n0.749999 0.024641 0.598222 H\n0.250000 0.975359 0.401778 H\n0.250000 0.214504 0.591596 H\n0.749999 0.524641 0.901778 H\n0.024990 0.274348 0.831139 H\n0.524990 0.725652 0.168861 H\n0.524990 0.225652 0.331139 H\n0.024990 0.774348 0.668861 H\n0.749999 0.474176 0.588311 H\n0.749999 0.785496 0.408403 H\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Sr",
"Ga",
"H"
],
"chemical_system": "Ga-H-Sr",
"density": 3.047693817222709,
"density_atomic": 0.07911895058357596,
"volume": 353.89751498817816,
"volume_molar": 7.611502320975068,
"formula_full": "Sr4 Ga4 H20",
"formula_reduced": "SrGaH5",
"formula_anonymous": "ABC5",
"energy_above_hull": 1.8934355192857144,
"spacegroup": 62
},
{
"id": "jvasp-121047",
"created_at": "2022-09-04T14:38:54.281178Z",
"updated_at": "2022-09-04T14:38:54.281208Z",
"structure_string": "Sr1 Ga1 H2\n1.0\n2.012717 1.162042 4.516645\n-2.012717 1.162042 4.516645\n0.000000 -2.324085 4.516645\nSr Ga H\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500001 0.500001 0.499999 Ga\n0.238567 0.238567 0.238566 H\n0.761434 0.761434 0.761432 H\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Ga",
"H"
],
"chemical_system": "Ga-H-Sr",
"density": 4.174971298422836,
"density_atomic": 0.06310853800365793,
"volume": 63.382865877326296,
"volume_molar": 9.542513502136496,
"formula_full": "Sr1 Ga1 H2",
"formula_reduced": "SrGaH2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.00519965875,
"spacegroup": 166
},
{
"id": "jvasp-37310",
"created_at": "2022-09-04T14:37:44.401524Z",
"updated_at": "2022-09-04T14:37:44.401554Z",
"structure_string": "Sr1 Ga2 H2\n1.0\n4.396010 0.000014 0.000002\n-2.197993 3.807034 0.000005\n-0.000012 0.000008 4.721527\nSr Ga H\n1 2 2\ndirect\n0.999959 0.999997 -0.000002 Sr\n0.333301 0.666671 0.466748 Ga\n0.666622 0.333327 0.533251 Ga\n0.333293 0.666666 0.105206 H\n0.666629 0.333334 0.894792 H\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Ga",
"H"
],
"chemical_system": "Ga-H-Sr",
"density": 4.814055943399769,
"density_atomic": 0.06327633274112872,
"volume": 79.01848579714024,
"volume_molar": 9.517208882248788,
"formula_full": "Sr1 Ga2 H2",
"formula_reduced": "Sr(GaH)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.6939401919999997,
"spacegroup": 164
},
{
"id": "jvasp-37308",
"created_at": "2022-09-04T14:37:44.195604Z",
"updated_at": "2022-09-04T14:37:44.195634Z",
"structure_string": "Sr1 Ga1 Sn1 H1\n1.0\n2.234233 -3.869804 0.000000\n2.234233 3.869804 -0.000000\n0.000000 0.000000 5.142556\nSr Ga Sn H\n1 1 1 1\ndirect\n0.000000 0.000000 0.001220 Sr\n0.666666 0.333332 0.399881 Ga\n0.333332 0.666666 0.550796 Sn\n0.666666 0.333332 0.058802 H\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Sr",
"Ga",
"Sn",
"H"
],
"chemical_system": "Ga-H-Sn-Sr",
"density": 5.173660710070404,
"density_atomic": 0.04498145866579757,
"volume": 88.92552884332027,
"volume_molar": 13.388051296297865,
"formula_full": "Sr1 Ga1 Sn1 H1",
"formula_reduced": "SrGaSnH",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.36714758375,
"spacegroup": 156
},
{
"id": "jvasp-37390",
"created_at": "2022-09-04T14:37:49.624980Z",
"updated_at": "2022-09-04T14:37:49.624994Z",
"structure_string": "Sr1 Ga1 Si1 H1\n1.0\n2.094342 -3.627507 0.000000\n2.094342 3.627507 -0.000000\n0.000000 0.000000 4.987051\nSr Ga Si H\n1 1 1 1\ndirect\n0.000000 0.000000 0.997180 Sr\n0.333332 0.666667 0.550051 Ga\n0.666667 0.333332 0.442769 Si\n0.333332 0.666667 0.906901 H\n",
"nsites": 4,
"nelements": 4,
"elements": [
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"Ga",
"Si",
"H"
],
"chemical_system": "Ga-H-Si-Sr",
"density": 4.085547201684672,
"density_atomic": 0.052787406450523794,
"volume": 75.77564932554684,
"volume_molar": 11.408290660471053,
"formula_full": "Sr1 Ga1 Si1 H1",
"formula_reduced": "SrGaSiH",
"formula_anonymous": "ABCD",
"energy_above_hull": 1.0558818087500002,
"spacegroup": 156
},
{
"id": "jvasp-116952",
"created_at": "2022-09-04T14:38:45.573659Z",
"updated_at": "2022-09-04T14:38:45.573685Z",
"structure_string": "Rb4 Ga4 H16\n1.0\n5.678481 -0.000000 0.000000\n0.000000 7.420792 0.000000\n-0.000000 -0.000000 9.280672\nRb Ga H\n4 4 16\ndirect\n0.250000 0.333383 0.679665 Rb\n0.250000 0.166617 0.179665 Rb\n0.750000 0.666617 0.320334 Rb\n0.750000 0.833383 0.820334 Rb\n0.250000 0.691350 0.066688 Ga\n0.250000 0.808650 0.566687 Ga\n0.750000 0.308650 0.933312 Ga\n0.750000 0.191350 0.433312 Ga\n0.477728 0.681363 0.581853 H\n0.022272 0.818637 0.081853 H\n0.022272 0.681363 0.581853 H\n0.477728 0.818637 0.081853 H\n0.522272 0.318637 0.418147 H\n0.977728 0.181363 0.918147 H\n0.750000 0.051878 0.301886 H\n0.750000 0.095190 0.586806 H\n0.250000 0.948122 0.698114 H\n0.250000 0.551878 0.198114 H\n0.522272 0.181363 0.918147 H\n0.750000 0.404810 0.086806 H\n0.250000 0.904810 0.413194 H\n0.250000 0.595190 0.913194 H\n0.750000 0.448122 0.801886 H\n0.977728 0.318637 0.418147 H\n",
"nsites": 24,
"nelements": 3,
"elements": [
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"Ga",
"H"
],
"chemical_system": "Ga-H-Rb",
"density": 2.704281090091191,
"density_atomic": 0.061369047394150694,
"volume": 391.0766260694398,
"volume_molar": 9.812993708900215,
"formula_full": "Rb4 Ga4 H16",
"formula_reduced": "RbGaH4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.607373720833334,
"spacegroup": 62
}
]
}