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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-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,
"nelements": 2,
"elements": [
"Mg",
"H"
],
"chemical_system": "H-Mg",
"density": 1.437461646786422,
"density_atomic": 0.0986661127254192,
"volume": 60.811152221001905,
"volume_molar": 6.103555307544336,
"formula_full": "Mg2 H4",
"formula_reduced": "MgH2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.1709963500000002,
"spacegroup": 136
},
{
"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-103614",
"created_at": "2022-09-04T14:36:41.693849Z",
"updated_at": "2022-09-04T14:36:41.693866Z",
"structure_string": "Mg2 Hg4\n1.0\n7.517536 0.156950 0.000000\n-6.736819 3.339648 0.000000\n0.000000 0.000000 5.216983\nMg Hg\n2 4\ndirect\n0.602433 0.397568 0.250000 Mg\n0.397568 0.602433 0.750000 Mg\n0.263120 0.736881 0.250000 Hg\n0.939235 0.060765 0.250000 Hg\n0.736881 0.263119 0.750000 Hg\n0.060766 0.939235 0.750000 Hg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg",
"density": 10.352659708554116,
"density_atomic": 0.04395819407981852,
"volume": 136.49332338597225,
"volume_molar": 13.699700103842078,
"formula_full": "Mg2 Hg4",
"formula_reduced": "MgHg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.3004225,
"spacegroup": 63
},
{
"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-103276",
"created_at": "2022-09-04T14:36:43.545212Z",
"updated_at": "2022-09-04T14:36:43.545231Z",
"structure_string": "Mg1 Hg3\n1.0\n4.014826 -0.211028 -3.830064\n-0.880307 3.922807 -3.830064\n0.178209 0.211028 5.545850\nMg Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000001 Hg\n0.750001 0.250000 0.500001 Hg\n0.250000 0.750001 0.500001 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg",
"density": 11.167738336303943,
"density_atomic": 0.0429684572968491,
"volume": 93.09154323055769,
"volume_molar": 14.015259422501089,
"formula_full": "Mg1 Hg3",
"formula_reduced": "MgHg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.1736920833333333,
"spacegroup": 139
},
{
"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-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-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-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-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
}
]
}