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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=4098",
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"results": [
{
"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-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-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-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-106564",
"created_at": "2022-09-04T14:36:55.072426Z",
"updated_at": "2022-09-04T14:36:55.072452Z",
"structure_string": "Mg2 Pb4\n1.0\n3.523064 0.000000 0.000000\n-1.761532 3.051063 0.000000\n-0.000000 -0.000000 15.942069\nMg Pb\n2 4\ndirect\n0.000000 0.000000 0.341972 Mg\n0.000000 0.000000 0.658028 Mg\n0.333333 0.666666 0.814700 Pb\n0.000000 0.000000 0.000000 Pb\n0.333333 0.666666 0.185300 Pb\n0.333333 0.666666 0.500000 Pb\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Pb"
],
"chemical_system": "Mg-Pb",
"density": 8.502277683290194,
"density_atomic": 0.03501344617025646,
"volume": 171.3627379271491,
"volume_molar": 17.19950881360471,
"formula_full": "Mg2 Pb4",
"formula_reduced": "MgPb2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.186500492,
"spacegroup": 187
},
{
"id": "jvasp-37204",
"created_at": "2022-09-04T14:38:07.377976Z",
"updated_at": "2022-09-04T14:38:07.378007Z",
"structure_string": "Mg3 Pb1\n1.0\n-2.285093 2.285093 4.605935\n2.285093 -2.285093 4.605935\n2.285093 2.285093 -4.605935\nMg Pb\n3 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.750000 0.250000 0.500000 Mg\n0.250000 0.750000 0.500000 Mg\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Pb"
],
"chemical_system": "Mg-Pb",
"density": 4.835038172151726,
"density_atomic": 0.04157903784193366,
"volume": 96.20232231458431,
"volume_molar": 14.483598160432892,
"formula_full": "Mg3 Pb1",
"formula_reduced": "Mg3Pb",
"formula_anonymous": "AB3",
"energy_above_hull": 0.086892582,
"spacegroup": 139
},
{
"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-110822",
"created_at": "2022-09-04T14:38:48.073999Z",
"updated_at": "2022-09-04T14:38:48.074025Z",
"structure_string": "Mg5 Pb1\n1.0\n8.440450 0.006710 0.000000\n-7.783644 3.264373 0.000000\n-0.000000 -0.000000 5.168526\nMg Pb\n5 1\ndirect\n0.999773 0.000227 -0.000000 Mg\n0.335862 0.664137 -0.000000 Mg\n0.662528 0.337471 -0.000000 Mg\n0.449175 0.550825 0.500000 Mg\n0.109381 0.890618 0.500000 Mg\n0.776619 0.223381 0.500000 Pb\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Pb"
],
"chemical_system": "Mg-Pb",
"density": 3.8258442921985893,
"density_atomic": 0.04205297350933065,
"volume": 142.67718782522547,
"volume_molar": 14.320368472074435,
"formula_full": "Mg5 Pb1",
"formula_reduced": "Mg5Pb",
"formula_anonymous": "AB5",
"energy_above_hull": 0.0009266666666666,
"spacegroup": 38
},
{
"id": "jvasp-103283",
"created_at": "2022-09-04T14:36:33.289999Z",
"updated_at": "2022-09-04T14:36:33.290025Z",
"structure_string": "Mg2 Pb6\n1.0\n6.892298 0.000000 -0.000000\n-3.446149 5.968905 0.000000\n-0.000000 -0.000000 5.676842\nMg Pb\n2 6\ndirect\n0.666667 0.333333 0.250000 Mg\n0.333333 0.666668 0.750000 Mg\n0.169908 0.339818 0.250000 Pb\n0.169909 0.830092 0.250000 Pb\n0.660183 0.830092 0.250000 Pb\n0.339818 0.169908 0.750000 Pb\n0.830092 0.169908 0.750000 Pb\n0.830092 0.660183 0.750000 Pb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Pb"
],
"chemical_system": "Mg-Pb",
"density": 9.185064686885436,
"density_atomic": 0.03425503902477589,
"volume": 233.54228247160313,
"volume_molar": 17.580306230695935,
"formula_full": "Mg2 Pb6",
"formula_reduced": "MgPb3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.200000574,
"spacegroup": 194
},
{
"id": "jvasp-38642",
"created_at": "2022-09-04T14:38:30.502770Z",
"updated_at": "2022-09-04T14:38:30.502797Z",
"structure_string": "Mg1 Pb3\n1.0\n1.768819 -3.063685 -0.000000\n1.768819 3.063685 -0.000000\n0.000000 -0.000000 10.802908\nMg Pb\n1 3\ndirect\n0.333333 0.666668 0.500000 Mg\n0.000000 0.000000 0.728874 Pb\n0.333333 0.666668 0.000000 Pb\n0.000000 0.000000 0.271126 Pb\n",
"nsites": 4,
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"elements": [
"Mg",
"Pb"
],
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"density": 9.160508158380289,
"density_atomic": 0.03416345721550917,
"volume": 117.08416905137229,
"volume_molar": 17.62743366987499,
"formula_full": "Mg1 Pb3",
"formula_reduced": "MgPb3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.1978405739999999,
"spacegroup": 187
},
{
"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,
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"elements": [
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],
"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
}
]
}