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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=548",
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"results": [
{
"id": "jvasp-111281",
"created_at": "2022-09-04T14:38:51.740821Z",
"updated_at": "2022-09-04T14:38:51.740846Z",
"structure_string": "Mg2 Pb4\n1.0\n7.133738 0.133482 1.720461\n6.210334 3.512803 1.720461\n0.196320 0.053645 7.097246\nMg Pb\n2 4\ndirect\n0.338194 0.338193 0.066917 Mg\n0.661809 0.661804 0.933084 Mg\n0.011027 0.011025 0.750172 Pb\n0.321868 0.321865 0.623266 Pb\n0.678135 0.678132 0.376734 Pb\n0.988976 0.988972 0.249829 Pb\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Pb"
],
"chemical_system": "Mg-Pb",
"density": 8.533146700219753,
"density_atomic": 0.03514056865470743,
"volume": 170.74282601844692,
"volume_molar": 17.137288867387962,
"formula_full": "Mg2 Pb4",
"formula_reduced": "MgPb2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1846071586666667,
"spacegroup": 12
},
{
"id": "jvasp-107954",
"created_at": "2022-09-04T14:38:18.063553Z",
"updated_at": "2022-09-04T14:38:18.063563Z",
"structure_string": "Mg5 Pb1\n1.0\n4.988223 0.016592 3.641141\n1.859235 4.628811 3.641141\n0.024457 0.016592 6.175733\nMg Pb\n5 1\ndirect\n0.000001 0.671067 0.328932 Mg\n0.671067 0.328932 0.000000 Mg\n0.328933 -0.000000 0.671067 Mg\n0.830798 0.830796 0.830796 Mg\n0.169203 0.169203 0.169203 Mg\n0.500001 0.499999 0.500000 Pb\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Pb"
],
"chemical_system": "Mg-Pb",
"density": 3.849387171784266,
"density_atomic": 0.042311752491415375,
"volume": 141.80457311989946,
"volume_molar": 14.23278499566245,
"formula_full": "Mg5 Pb1",
"formula_reduced": "Mg5Pb",
"formula_anonymous": "AB5",
"energy_above_hull": 0.0,
"spacegroup": 155
},
{
"id": "jvasp-17807",
"created_at": "2022-09-04T14:38:11.261528Z",
"updated_at": "2022-09-04T14:38:11.261557Z",
"structure_string": "Mg2 Pb1\n1.0\n4.201383 0.000000 2.425669\n1.400461 3.961102 2.425669\n-0.000000 0.000000 4.851339\nMg Pb\n2 1\ndirect\n0.749999 0.750000 0.750001 Mg\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mg",
"Pb"
],
"chemical_system": "Mg-Pb",
"density": 5.261343931961649,
"density_atomic": 0.037157914572527755,
"volume": 80.73650081046294,
"volume_molar": 16.2068857450154,
"formula_full": "Mg2 Pb1",
"formula_reduced": "Mg2Pb",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1282234973333333,
"spacegroup": 225
},
{
"id": "jvasp-108650",
"created_at": "2022-09-04T14:38:05.790809Z",
"updated_at": "2022-09-04T14:38:05.790834Z",
"structure_string": "Mg6 Pb2\n1.0\n6.428599 -0.000000 0.000000\n-3.214299 5.567331 0.000000\n-0.000000 0.000000 5.299198\nMg Pb\n6 2\ndirect\n0.163355 0.326711 0.250000 Mg\n0.163355 0.836644 0.250000 Mg\n0.673289 0.836645 0.250000 Mg\n0.326711 0.163355 0.750000 Mg\n0.836645 0.163355 0.750000 Mg\n0.836645 0.673289 0.750000 Mg\n0.666667 0.333333 0.250000 Pb\n0.333333 0.666667 0.750000 Pb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Pb"
],
"chemical_system": "Mg-Pb",
"density": 4.9050329928387235,
"density_atomic": 0.04218096014212284,
"volume": 189.6590303550493,
"volume_molar": 14.276917215040248,
"formula_full": "Mg6 Pb2",
"formula_reduced": "Mg3Pb",
"formula_anonymous": "AB3",
"energy_above_hull": 0.080535082,
"spacegroup": 194
},
{
"id": "jvasp-106562",
"created_at": "2022-09-04T14:36:53.676270Z",
"updated_at": "2022-09-04T14:36:53.676288Z",
"structure_string": "Mg1 Pd3\n1.0\n3.638055 0.016443 -3.161031\n-0.745500 3.560890 -3.161031\n-0.013295 -0.016443 4.819479\nMg Pd\n1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.499999 0.500000 -0.000001 Pd\n0.749998 0.250000 0.499999 Pd\n0.249999 0.750000 0.500000 Pd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Pd"
],
"chemical_system": "Mg-Pd",
"density": 9.184294734996207,
"density_atomic": 0.06439435413338111,
"volume": 62.11724698278256,
"volume_molar": 9.351970123850048,
"formula_full": "Mg1 Pd3",
"formula_reduced": "MgPd3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.06305649,
"spacegroup": 139
},
{
"id": "jvasp-101589",
"created_at": "2022-09-04T14:36:53.299455Z",
"updated_at": "2022-09-04T14:36:53.299480Z",
"structure_string": "Mg2 Pd6\n1.0\n5.621439 0.000000 0.000000\n-2.810720 4.868308 0.000000\n-0.000000 -0.000000 4.541970\nMg Pd\n2 6\ndirect\n0.666667 0.333333 0.250000 Mg\n0.333334 0.666667 0.750000 Mg\n0.166822 0.333644 0.250000 Pd\n0.166822 0.833179 0.250000 Pd\n0.666356 0.833179 0.250000 Pd\n0.333644 0.166822 0.750000 Pd\n0.833179 0.166822 0.750000 Pd\n0.833179 0.666356 0.750000 Pd\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Pd"
],
"chemical_system": "Mg-Pd",
"density": 9.179482480440857,
"density_atomic": 0.06436061370660273,
"volume": 124.29962269267924,
"volume_molar": 9.356872803377557,
"formula_full": "Mg2 Pd6",
"formula_reduced": "MgPd3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.06568399,
"spacegroup": 194
},
{
"id": "jvasp-106778",
"created_at": "2022-09-04T14:36:47.926876Z",
"updated_at": "2022-09-04T14:36:47.926890Z",
"structure_string": "Mg1 Pd3\n1.0\n2.825253 -0.003760 8.441903\n1.372028 2.469738 8.441903\n-0.006400 -0.003760 8.902120\nMg Pd\n1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.253793 0.253794 0.253793 Pd\n0.500000 0.500000 0.499999 Pd\n0.746206 0.746207 0.746206 Pd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Pd"
],
"chemical_system": "Mg-Pd",
"density": 9.15126723271885,
"density_atomic": 0.06416278657820618,
"volume": 62.34143205617348,
"volume_molar": 9.385721975556322,
"formula_full": "Mg1 Pd3",
"formula_reduced": "MgPd3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.1083639900000002,
"spacegroup": 166
},
{
"id": "jvasp-11005",
"created_at": "2022-09-04T14:36:49.085721Z",
"updated_at": "2022-09-04T14:36:49.085738Z",
"structure_string": "Mg4 Pd8\n1.0\n4.164844 -0.000000 0.000000\n0.000000 5.514205 0.000000\n0.000000 0.000000 8.162412\nMg Pd\n4 8\ndirect\n0.749999 0.666883 0.098325 Mg\n0.250000 0.333118 0.901675 Mg\n0.749999 0.166883 0.401675 Mg\n0.250000 0.833118 0.598325 Mg\n0.749999 0.656820 0.427325 Pd\n0.250000 0.343181 0.572675 Pd\n0.749999 0.156820 0.072675 Pd\n0.250000 0.843181 0.927325 Pd\n0.749999 0.570922 0.764750 Pd\n0.250000 0.429079 0.235249 Pd\n0.749999 0.070921 0.735249 Pd\n0.250000 0.929079 0.264750 Pd\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"Pd"
],
"chemical_system": "Mg-Pd",
"density": 8.402778244974419,
"density_atomic": 0.06401490233880823,
"volume": 187.45635096790815,
"volume_molar": 9.407404432372541,
"formula_full": "Mg4 Pd8",
"formula_reduced": "MgPd2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.73198342,
"spacegroup": 62
},
{
"id": "jvasp-14913",
"created_at": "2022-09-04T14:36:57.289333Z",
"updated_at": "2022-09-04T14:36:57.289362Z",
"structure_string": "Mg1 Pd3\n1.0\n3.959773 0.000000 -0.000000\n0.000000 3.959773 -0.000000\n0.000000 0.000000 3.959773\nMg Pd\n1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Pd"
],
"chemical_system": "Mg-Pd",
"density": 9.188553362664637,
"density_atomic": 0.06442421288531751,
"volume": 62.08845744255283,
"volume_molar": 9.347635757258068,
"formula_full": "Mg1 Pd3",
"formula_reduced": "MgPd3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.06561399,
"spacegroup": 221
},
{
"id": "jvasp-109058",
"created_at": "2022-09-04T14:37:48.845996Z",
"updated_at": "2022-09-04T14:37:48.846009Z",
"structure_string": "Mg2 Pd1\n1.0\n3.114924 0.001089 -4.567463\n-0.295619 3.100864 -4.567463\n-0.000990 -0.001089 5.528514\nMg Pd\n2 1\ndirect\n0.646928 0.646929 -0.000001 Mg\n0.353070 0.353070 -0.000000 Mg\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mg",
"Pd"
],
"chemical_system": "Mg-Pd",
"density": 4.8235169395127935,
"density_atomic": 0.056210858500990994,
"volume": 53.37047111541821,
"volume_molar": 10.713482982818757,
"formula_full": "Mg2 Pd1",
"formula_reduced": "Mg2Pd",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2183544733333333,
"spacegroup": 139
},
{
"id": "jvasp-38680",
"created_at": "2022-09-04T14:37:49.229901Z",
"updated_at": "2022-09-04T14:37:49.229921Z",
"structure_string": "Mg1 Pd5\n1.0\n-4.188964 2.418500 0.000000\n0.000000 -4.837000 -0.000000\n-1.396321 2.418500 4.577629\nMg Pd\n1 5\ndirect\n0.833332 0.499999 0.500000 Mg\n0.333333 0.667814 -0.000000 Pd\n0.001147 0.999999 0.000000 Pd\n0.501350 0.831981 0.495948 Pd\n0.165316 0.168016 0.504050 Pd\n0.665519 0.332187 -0.000000 Pd\n",
"nsites": 6,
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"elements": [
"Mg",
"Pd"
],
"chemical_system": "Mg-Pd",
"density": 9.961318223482705,
"density_atomic": 0.06468862844621819,
"volume": 92.75200516870397,
"volume_molar": 9.309427181636382,
"formula_full": "Mg1 Pd5",
"formula_reduced": "MgPd5",
"formula_anonymous": "AB5",
"energy_above_hull": 1.42911956,
"spacegroup": 155
},
{
"id": "jvasp-91682",
"created_at": "2022-09-04T14:35:42.001274Z",
"updated_at": "2022-09-04T14:35:42.001295Z",
"structure_string": "Mg6 Pd2\n1.0\n-2.320393 -4.019343 -0.000000\n-2.320393 4.019343 0.000000\n0.000000 -0.000000 -8.382331\nMg Pd\n6 2\ndirect\n0.000025 0.999973 0.750000 Mg\n0.999973 0.000025 0.250000 Mg\n0.666672 0.333327 0.075850 Mg\n0.333327 0.666672 0.924150 Mg\n0.333327 0.666672 0.575850 Mg\n0.666672 0.333327 0.424149 Mg\n0.666712 0.333287 0.750000 Pd\n0.333287 0.666712 0.250000 Pd\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "Mg-Pd",
"density": 3.8091908500581306,
"density_atomic": 0.05116565865822403,
"volume": 156.35487179864796,
"volume_molar": 11.769888081040154,
"formula_full": "Mg6 Pd2",
"formula_reduced": "Mg3Pd",
"formula_anonymous": "AB3",
"energy_above_hull": 0.13690307,
"spacegroup": 194
}
]
}