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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=538",
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"results": [
{
"id": "jvasp-12557",
"created_at": "2022-09-04T14:38:14.207189Z",
"updated_at": "2022-09-04T14:38:14.207217Z",
"structure_string": "Mg4 H8\n1.0\n4.491378 -0.000000 0.000000\n-0.000000 4.926389 0.000000\n0.000000 0.000000 5.439535\nMg H\n4 8\ndirect\n0.500000 0.750000 0.834657 Mg\n0.000000 0.250000 0.665341 Mg\n0.500000 0.250000 0.165342 Mg\n0.000000 0.750000 0.334658 Mg\n0.728586 0.419255 0.889110 H\n0.228586 0.580745 0.610889 H\n0.771415 0.919255 0.610889 H\n0.271415 0.080745 0.889110 H\n0.728586 0.919255 0.110889 H\n0.228586 0.080745 0.389110 H\n0.771415 0.419255 0.389110 H\n0.271415 0.580745 0.110889 H\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"H"
],
"chemical_system": "H-Mg",
"density": 1.4525778226788544,
"density_atomic": 0.09970367384429443,
"volume": 120.35664822883257,
"volume_molar": 6.04003897529862,
"formula_full": "Mg4 H8",
"formula_reduced": "MgH2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.1716863500000003,
"spacegroup": 60
},
{
"id": "jvasp-86802",
"created_at": "2022-09-04T14:35:56.056399Z",
"updated_at": "2022-09-04T14:35:56.056425Z",
"structure_string": "Mg4 H8\n1.0\n4.810998 0.000000 0.000000\n0.000000 4.810442 0.000000\n0.000000 0.000000 4.810243\nMg H\n4 8\ndirect\n0.750005 0.712779 -0.000002 Mg\n0.249996 0.712779 0.499998 Mg\n0.750005 0.212779 0.500001 Mg\n0.249996 0.212779 0.000002 Mg\n0.595527 0.058309 0.154457 H\n0.095505 0.367312 0.345507 H\n0.595527 0.558309 0.345542 H\n0.904496 0.867312 0.654492 H\n0.095505 0.867312 0.154493 H\n0.404474 0.558309 0.845542 H\n0.404474 0.058309 0.654457 H\n0.904496 0.367312 0.845507 H\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"H"
],
"chemical_system": "H-Mg",
"density": 1.5704435083354988,
"density_atomic": 0.10779387162693148,
"volume": 111.32358286129033,
"volume_molar": 5.586719049151783,
"formula_full": "Mg4 H8",
"formula_reduced": "MgH2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.183929683333334,
"spacegroup": 205
},
{
"id": "jvasp-93292",
"created_at": "2022-09-04T14:36:01.366635Z",
"updated_at": "2022-09-04T14:36:01.366650Z",
"structure_string": "Mg5 Hg1\n1.0\n-4.699214 2.713091 0.000000\n0.000000 -5.426184 0.000000\n-1.566406 2.713091 5.135169\nMg Hg\n5 1\ndirect\n0.996443 -0.000000 -0.000000 Mg\n0.670221 0.336889 -0.000000 Mg\n0.333332 0.663113 -0.000000 Mg\n0.500662 0.832669 0.498015 Mg\n0.166004 0.167327 0.501984 Mg\n0.833333 0.499998 0.499998 Hg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg",
"density": 4.084938911388898,
"density_atomic": 0.045822287932359006,
"volume": 130.94064636966525,
"volume_molar": 13.14238339405845,
"formula_full": "Mg5 Hg1",
"formula_reduced": "Mg5Hg",
"formula_anonymous": "AB5",
"energy_above_hull": 0.0,
"spacegroup": 155
},
{
"id": "jvasp-93502",
"created_at": "2022-09-04T14:35:59.348477Z",
"updated_at": "2022-09-04T14:35:59.348499Z",
"structure_string": "Mg1 Hg5\n1.0\n-5.264924 3.039704 0.000000\n-0.000000 -6.079412 -0.000000\n-1.754975 3.039704 4.754103\nMg Hg\n1 5\ndirect\n0.833332 0.500000 0.500001 Mg\n0.946118 0.000000 0.999998 Hg\n0.720544 0.387210 0.999998 Hg\n0.333335 0.612789 0.000000 Hg\n0.189303 0.144030 0.432093 Hg\n0.477363 0.855966 0.567907 Hg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg",
"density": 11.209986554980572,
"density_atomic": 0.03943020008184716,
"volume": 152.16762754298765,
"volume_molar": 15.272914536318742,
"formula_full": "Mg1 Hg5",
"formula_reduced": "MgHg5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.0037349999999999,
"spacegroup": 155
},
{
"id": "jvasp-16549",
"created_at": "2022-09-04T14:38:15.213537Z",
"updated_at": "2022-09-04T14:38:15.213561Z",
"structure_string": "Mg1 Hg2\n1.0\n3.623233 0.000000 -1.448596\n-0.579160 3.576645 -1.448596\n-0.016693 -0.019614 5.213765\nMg Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666870 0.666870 0.333740 Hg\n0.333130 0.333130 0.666260 Hg\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg",
"density": 10.489027754456878,
"density_atomic": 0.044537223353148754,
"volume": 67.35938556860891,
"volume_molar": 13.521590046709184,
"formula_full": "Mg1 Hg2",
"formula_reduced": "MgHg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.3069858333333332,
"spacegroup": 139
},
{
"id": "jvasp-104598",
"created_at": "2022-09-04T14:36:51.857312Z",
"updated_at": "2022-09-04T14:36:51.857332Z",
"structure_string": "Mg2 Hg4\n1.0\n6.150909 0.150715 1.914058\n5.125047 3.404452 1.914058\n0.084250 0.026563 6.728556\nMg Hg\n2 4\ndirect\n0.000237 0.000236 0.749858 Mg\n-0.000236 -0.000237 0.250143 Mg\n0.653945 0.653941 0.917607 Hg\n0.346058 0.346056 0.082394 Hg\n0.654042 0.654038 0.417073 Hg\n0.345961 0.345959 0.582928 Hg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg",
"density": 10.45749282072137,
"density_atomic": 0.04440332358473521,
"volume": 135.12502028255054,
"volume_molar": 13.562364872322908,
"formula_full": "Mg2 Hg4",
"formula_reduced": "MgHg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2974458333333333,
"spacegroup": 12
},
{
"id": "jvasp-106556",
"created_at": "2022-09-04T14:36:51.253544Z",
"updated_at": "2022-09-04T14:36:51.253576Z",
"structure_string": "Mg6 Hg2\n1.0\n6.235866 -0.000000 0.000000\n-3.117933 5.400418 0.000000\n0.000000 0.000000 4.957176\nMg Hg\n6 2\ndirect\n0.168343 0.336684 0.250000 Mg\n0.168343 0.831658 0.250000 Mg\n0.663317 0.831658 0.250000 Mg\n0.336684 0.168342 0.750001 Mg\n0.831658 0.168342 0.750001 Mg\n0.831659 0.663317 0.750001 Mg\n0.666667 0.333333 0.250000 Hg\n0.333334 0.666667 0.750001 Hg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg",
"density": 5.441089561160811,
"density_atomic": 0.04792162079143067,
"volume": 166.93926181709108,
"volume_molar": 12.5666466629127,
"formula_full": "Mg6 Hg2",
"formula_reduced": "Mg3Hg",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0905145833333333,
"spacegroup": 194
},
{
"id": "jvasp-106559",
"created_at": "2022-09-04T14:36:46.956927Z",
"updated_at": "2022-09-04T14:36:46.956937Z",
"structure_string": "Mg1 Hg5\n1.0\n6.157608 -0.000000 0.000000\n-3.078804 5.332645 0.000000\n-0.000000 0.000000 4.640591\nMg Hg\n1 5\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.689348 0.500000 Hg\n0.689348 0.000000 0.500000 Hg\n0.310652 0.310651 0.500000 Hg\n0.666667 0.333333 -0.000000 Hg\n0.333334 0.666666 -0.000000 Hg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg",
"density": 11.194362257255332,
"density_atomic": 0.03937524290750774,
"volume": 152.38001233653267,
"volume_molar": 15.294231388352273,
"formula_full": "Mg1 Hg5",
"formula_reduced": "MgHg5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.0,
"spacegroup": 189
},
{
"id": "jvasp-19702",
"created_at": "2022-09-04T14:37:55.334646Z",
"updated_at": "2022-09-04T14:37:55.334670Z",
"structure_string": "Mg1 Hg1\n1.0\n3.473330 0.000000 0.000000\n-0.000000 3.473330 0.000000\n0.000000 0.000000 3.473330\nMg Hg\n1 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg",
"density": 8.912319662299147,
"density_atomic": 0.047730046041956256,
"volume": 41.90232706337503,
"volume_molar": 12.617085587360094,
"formula_full": "Mg1 Hg1",
"formula_reduced": "MgHg",
"formula_anonymous": "AB",
"energy_above_hull": 0.4983633333333332,
"spacegroup": 221
},
{
"id": "jvasp-109326",
"created_at": "2022-09-04T14:37:58.677821Z",
"updated_at": "2022-09-04T14:37:58.677844Z",
"structure_string": "Mg2 Hg6\n1.0\n5.045617 -0.000000 0.000000\n-2.522808 4.369633 0.000000\n-0.000000 -0.000000 8.902035\nMg Hg\n2 6\ndirect\n0.333333 0.666666 0.250000 Mg\n0.666667 0.333333 0.750000 Mg\n0.333333 0.666666 0.573116 Hg\n0.666667 0.333333 0.426884 Hg\n0.666667 0.333333 0.073116 Hg\n0.333333 0.666666 0.926885 Hg\n0.000000 0.000000 0.250000 Hg\n0.000000 0.000000 0.750000 Hg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg",
"density": 10.59392548659822,
"density_atomic": 0.04076068234846831,
"volume": 196.26756813359924,
"volume_molar": 14.774386524042814,
"formula_full": "Mg2 Hg6",
"formula_reduced": "MgHg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.1626045833333332,
"spacegroup": 194
},
{
"id": "jvasp-37195",
"created_at": "2022-09-04T14:37:55.750184Z",
"updated_at": "2022-09-04T14:37:55.750227Z",
"structure_string": "Mg3 Hg1\n1.0\n4.379489 0.000000 0.000000\n0.000000 4.379489 0.000000\n-0.000000 -0.000000 4.379489\nMg Hg\n3 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg",
"density": 5.406846598296114,
"density_atomic": 0.04762003077664933,
"volume": 83.99826574579653,
"volume_molar": 12.646234497926827,
"formula_full": "Mg3 Hg1",
"formula_reduced": "Mg3Hg",
"formula_anonymous": "AB3",
"energy_above_hull": 0.1008295833333333,
"spacegroup": 221
},
{
"id": "jvasp-109291",
"created_at": "2022-09-04T14:38:48.029445Z",
"updated_at": "2022-09-04T14:38:48.029467Z",
"structure_string": "Mg2 Hg4\n1.0\n4.266825 -0.182371 3.103375\n1.282019 4.073755 3.103375\n0.071212 0.049941 7.860563\nMg Hg\n2 4\ndirect\n0.885757 0.114241 0.750001 Mg\n0.114242 0.885757 0.250001 Mg\n0.218038 0.424056 0.769761 Hg\n0.781961 0.575943 0.230241 Hg\n0.424056 0.218038 0.269761 Hg\n0.575943 0.781961 0.730241 Hg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg",
"density": 10.309335077364546,
"density_atomic": 0.043774234343878005,
"volume": 137.06693195055558,
"volume_molar": 13.75727262912645,
"formula_full": "Mg2 Hg4",
"formula_reduced": "MgHg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2981525,
"spacegroup": 15
}
]
}