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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=4108",
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"results": [
{
"id": "jvasp-110824",
"created_at": "2022-09-04T14:38:45.488053Z",
"updated_at": "2022-09-04T14:38:45.488081Z",
"structure_string": "Mg2 Hg4\n1.0\n6.458245 -0.154046 2.324295\n5.537459 3.327041 2.324295\n0.094273 0.024936 6.219827\nMg Hg\n2 4\ndirect\n0.148285 0.148286 0.421391 Mg\n0.851714 0.851714 0.578609 Mg\n0.184310 0.184312 0.860661 Hg\n0.815689 0.815688 0.139338 Hg\n0.513159 0.513159 0.234806 Hg\n0.486840 0.486841 0.765193 Hg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg",
"density": 10.229697843366603,
"density_atomic": 0.04343608848700522,
"volume": 138.133985103079,
"volume_molar": 13.86437170050808,
"formula_full": "Mg2 Hg4",
"formula_reduced": "MgHg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2980691666666666,
"spacegroup": 12
},
{
"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": [
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"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-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-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-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-93291",
"created_at": "2022-09-04T14:35:57.346400Z",
"updated_at": "2022-09-04T14:35:57.346424Z",
"structure_string": "Mg1 Hg5\n1.0\n3.754690 0.000000 0.000000\n1.877344 7.489420 0.000000\n0.000000 0.000000 5.295844\nMg Hg\n1 5\ndirect\n0.783046 0.433907 0.499999 Mg\n0.324805 0.350393 0.000000 Hg\n0.660680 0.678641 0.000000 Hg\n-0.005071 0.010140 0.000000 Hg\n0.444544 0.110916 0.499999 Hg\n0.125332 0.749339 0.499999 Hg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg",
"density": 11.454335659109097,
"density_atomic": 0.04028967783575465,
"volume": 148.92151842116155,
"volume_molar": 14.947105768752799,
"formula_full": "Mg1 Hg5",
"formula_reduced": "MgHg5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.0050499999999999,
"spacegroup": 38
},
{
"id": "jvasp-12558",
"created_at": "2022-09-04T14:38:11.772612Z",
"updated_at": "2022-09-04T14:38:11.772642Z",
"structure_string": "Mg4 H8\n1.0\n3.132082 -0.000000 0.000000\n-0.000000 5.258127 0.000000\n0.000000 0.000000 6.014893\nMg H\n4 8\ndirect\n0.250000 0.749956 0.599613 Mg\n0.749999 0.250045 0.400386 Mg\n0.250000 0.249955 0.900386 Mg\n0.749999 0.750045 0.099614 Mg\n0.250000 0.481856 0.163084 H\n0.749999 0.518145 0.836916 H\n0.250000 0.981856 0.336916 H\n0.749999 0.018145 0.663084 H\n0.749999 0.638111 0.422074 H\n0.250000 0.361889 0.577926 H\n0.749999 0.138111 0.077926 H\n0.250000 0.861889 0.922074 H\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"H"
],
"chemical_system": "H-Mg",
"density": 1.7648889860816208,
"density_atomic": 0.12114043949476788,
"volume": 99.05858068575264,
"volume_molar": 4.971205969795165,
"formula_full": "Mg4 H8",
"formula_reduced": "MgH2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.2074363500000005,
"spacegroup": 62
},
{
"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-86200",
"created_at": "2022-09-04T14:36:16.317444Z",
"updated_at": "2022-09-04T14:36:16.317478Z",
"structure_string": "Mg4 H8\n1.0\n4.810839 0.000000 0.000000\n0.000000 4.810333 0.000000\n0.000000 0.000000 4.810148\nMg H\n4 8\ndirect\n0.750033 0.712742 0.000053 Mg\n0.249967 0.712742 0.500053 Mg\n0.750033 0.212742 0.499947 Mg\n0.249967 0.212742 0.999948 Mg\n0.595612 0.058385 0.154314 H\n0.095547 0.367273 0.345508 H\n0.595612 0.558385 0.345686 H\n0.904453 0.867272 0.654492 H\n0.095547 0.867272 0.154492 H\n0.404388 0.558385 0.845686 H\n0.404388 0.058385 0.654314 H\n0.904453 0.367273 0.845508 H\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"H"
],
"chemical_system": "H-Mg",
"density": 1.5705620166461787,
"density_atomic": 0.1078020059339348,
"volume": 111.31518283021617,
"volume_molar": 5.5862974977391415,
"formula_full": "Mg4 H8",
"formula_reduced": "MgH2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.183903016666667,
"spacegroup": 205
},
{
"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-3687",
"created_at": "2022-09-04T14:35:48.786388Z",
"updated_at": "2022-09-04T14:35:48.786420Z",
"structure_string": "Mg2 H4\n1.0\n4.499901 0.000000 0.000000\n0.000000 4.499901 0.000000\n0.000000 0.000000 3.003152\nMg H\n2 4\ndirect\n0.000000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.195982 0.195982 0.000000 H\n0.695982 0.304018 0.500000 H\n0.804018 0.804018 0.000000 H\n0.304018 0.695982 0.500000 H\n",
"nsites": 6,
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"elements": [
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"density_atomic": 0.0986661127254192,
"volume": 60.811152221001905,
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"formula_full": "Mg2 H4",
"formula_reduced": "MgH2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.1709963500000002,
"spacegroup": 136
},
{
"id": "jvasp-36262",
"created_at": "2022-09-04T14:37:16.712387Z",
"updated_at": "2022-09-04T14:37:16.712420Z",
"structure_string": "Mg1 H2\n1.0\n2.372866 2.372866 0.000000\n2.372866 0.000000 -2.372866\n0.000000 2.372866 -2.372866\nMg H\n1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 H\n0.750001 0.750001 0.750001 H\n",
"nsites": 3,
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"elements": [
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"density_atomic": 0.11227204118341459,
"volume": 26.720811061936722,
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"formula_full": "Mg1 H2",
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"energy_above_hull": 1.2121096833333338,
"spacegroup": 225
}
]
}