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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=3848",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=3846",
"results": [
{
"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-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",
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"spacegroup": 12
},
{
"id": "jvasp-38879",
"created_at": "2022-09-04T14:37:42.829589Z",
"updated_at": "2022-09-04T14:37:42.829616Z",
"structure_string": "Mg1 Rh2 Pb1\n1.0\n0.000003 3.227291 3.227293\n3.227293 -0.000000 3.227295\n3.227291 3.227291 0.000002\nMg Rh Pb\n1 2 1\ndirect\n0.249999 0.249998 0.249999 Mg\n0.000000 0.000000 0.000000 Rh\n0.500000 0.499999 0.499999 Rh\n0.749999 0.749997 0.749999 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Rh",
"Pb"
],
"chemical_system": "Mg-Pb-Rh",
"density": 10.801893385212914,
"density_atomic": 0.05949978730505642,
"volume": 67.22713107345967,
"volume_molar": 10.1212811553836,
"formula_full": "Mg1 Rh2 Pb1",
"formula_reduced": "MgRh2Pb",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.2183564675,
"spacegroup": 225
},
{
"id": "jvasp-38926",
"created_at": "2022-09-04T14:38:00.833442Z",
"updated_at": "2022-09-04T14:38:00.833470Z",
"structure_string": "Mg2 Tl1 Pb1\n1.0\n-0.000000 3.707405 3.707405\n3.707405 -0.000000 3.707405\n3.707405 3.707405 0.000000\nMg Tl Pb\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.499998 0.499998 0.499998 Mg\n0.749999 0.749999 0.749999 Tl\n0.250000 0.250000 0.250000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Tl",
"Pb"
],
"chemical_system": "Mg-Pb-Tl",
"density": 7.49806669803634,
"density_atomic": 0.03924821426044026,
"volume": 101.91546482744691,
"volume_molar": 15.343731870292862,
"formula_full": "Mg2 Tl1 Pb1",
"formula_reduced": "Mg2TlPb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-51329",
"created_at": "2022-09-04T14:37:00.229592Z",
"updated_at": "2022-09-04T14:37:00.229618Z",
"structure_string": "Mg2 Pb1 W1\n1.0\n0.000016 3.436245 3.436247\n3.436240 0.000012 3.436251\n3.436238 3.436246 0.000014\nMg Pb W\n2 1 1\ndirect\n0.000000 0.999999 -0.000000 Mg\n0.749999 0.750000 0.750002 Mg\n0.500000 0.500000 0.500001 Pb\n0.249999 0.250000 0.250001 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Pb",
"W"
],
"chemical_system": "Mg-Pb-W",
"density": 8.996563719066149,
"density_atomic": 0.04929245817468297,
"volume": 81.14831656041116,
"volume_molar": 12.217164619095877,
"formula_full": "Mg2 Pb1 W1",
"formula_reduced": "Mg2PbW",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.79788973,
"spacegroup": 216
},
{
"id": "jvasp-14748",
"created_at": "2022-09-04T14:36:39.237380Z",
"updated_at": "2022-09-04T14:36:39.237397Z",
"structure_string": "Mg1 Pd1\n1.0\n3.172946 -0.000000 -0.000000\n-0.000000 3.172946 0.000000\n-0.000000 0.000000 3.172946\nMg Pd\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500001 0.500001 0.500001 Pd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Pd"
],
"chemical_system": "Mg-Pd",
"density": 6.7954732165628045,
"density_atomic": 0.0626097475694678,
"volume": 31.943907740259245,
"volume_molar": 9.618535441814736,
"formula_full": "Mg1 Pd1",
"formula_reduced": "MgPd",
"formula_anonymous": "AB",
"energy_above_hull": 0.20149228,
"spacegroup": 221
},
{
"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,
"nelements": 2,
"elements": [
"Mg",
"Pd"
],
"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
},
{
"id": "jvasp-23086",
"created_at": "2022-09-04T14:37:31.345135Z",
"updated_at": "2022-09-04T14:37:31.345156Z",
"structure_string": "Mg16 Pd8\n1.0\n7.399139 0.000000 4.271895\n2.466380 6.975976 4.271895\n0.000000 0.000000 8.543791\nMg Pd\n16 8\ndirect\n0.820019 0.429981 0.429980 Mg\n0.000000 0.000000 0.000000 Mg\n-0.000000 -0.000000 0.500000 Mg\n0.500000 -0.000000 -0.000000 Mg\n-0.000000 0.500000 -0.000000 Mg\n0.179981 0.570020 0.570019 Mg\n0.820019 0.429981 0.820018 Mg\n0.820019 0.820020 0.429980 Mg\n0.429981 0.820020 0.820018 Mg\n0.429981 0.820020 0.429980 Mg\n0.179981 0.570020 0.179980 Mg\n0.570019 0.179981 0.570019 Mg\n0.570019 0.179981 0.179980 Mg\n0.179981 0.179981 0.570019 Mg\n0.570019 0.570020 0.179980 Mg\n0.429981 0.429981 0.820019 Mg\n0.781571 0.781572 0.155284 Pd\n0.844715 0.218429 0.218428 Pd\n0.218429 0.844715 0.218428 Pd\n0.218429 0.218429 0.844715 Pd\n0.781571 0.781572 0.781570 Pd\n0.781571 0.155285 0.781571 Pd\n0.155285 0.781572 0.781571 Pd\n0.218429 0.218429 0.218428 Pd\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Mg",
"Pd"
],
"chemical_system": "Mg-Pd",
"density": 4.670012592736268,
"density_atomic": 0.05442199547342301,
"volume": 440.9981624382076,
"volume_molar": 11.065637537934297,
"formula_full": "Mg16 Pd8",
"formula_reduced": "Mg2Pd",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2157011399999999,
"spacegroup": 227
},
{
"id": "jvasp-100205",
"created_at": "2022-09-04T14:36:59.286754Z",
"updated_at": "2022-09-04T14:36:59.286777Z",
"structure_string": "Mg5 Pd1\n1.0\n5.308754 -0.000000 0.000000\n-2.654376 4.597515 0.000000\n-0.000000 -0.000000 4.814703\nMg Pd\n5 1\ndirect\n0.314502 0.000000 0.500000 Mg\n0.685498 0.685499 0.500000 Mg\n-0.000000 0.314502 0.500000 Mg\n0.333333 0.666668 0.000000 Mg\n0.666666 0.333333 0.000000 Mg\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Pd"
],
"chemical_system": "Mg-Pd",
"density": 3.221023618540488,
"density_atomic": 0.051058257813521794,
"volume": 117.51282274286719,
"volume_molar": 11.79464599437459,
"formula_full": "Mg5 Pd1",
"formula_reduced": "Mg5Pd",
"formula_anonymous": "AB5",
"energy_above_hull": 0.0,
"spacegroup": 189
},
{
"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-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,
"nelements": 2,
"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-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
}
]
}