HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-updated_at&page=696",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-updated_at&page=694",
"results": [
{
"id": "jvasp-57257",
"created_at": "2022-09-04T14:38:33.066305Z",
"updated_at": "2022-09-04T14:38:33.066331Z",
"structure_string": "Ba6 Ni5 O15\n1.0\n7.189962 -0.000645 0.259260\n0.250056 7.185612 0.259260\n-0.000668 -0.000645 7.194635\nBa Ni O\n6 5 15\ndirect\n0.334554 0.665446 0.000000 Ba\n-0.000000 0.334554 0.665447 Ba\n0.665446 0.000001 0.334554 Ba\n0.148158 0.851842 0.500000 Ba\n0.500000 0.148159 0.851843 Ba\n0.851842 0.500000 0.148158 Ba\n0.500000 0.500000 0.500000 Ni\n0.710525 0.710525 0.710525 Ni\n0.289475 0.289475 0.289475 Ni\n0.905057 0.905058 0.905058 Ni\n0.094942 0.094943 0.094943 Ni\n0.766158 0.628484 0.472486 O\n0.233842 0.527515 0.371517 O\n0.527514 0.371517 0.233842 O\n0.371517 0.233842 0.527515 O\n0.000000 0.854021 0.145979 O\n0.854021 0.145980 0.000000 O\n0.331675 0.036564 0.193376 O\n0.963436 0.668326 0.806625 O\n0.668325 0.806625 0.963437 O\n0.806625 0.963437 0.668325 O\n0.193375 0.331675 0.036564 O\n0.472486 0.766159 0.628484 O\n0.036564 0.193376 0.331676 O\n0.145979 0.000001 0.854021 O\n0.628483 0.472486 0.766159 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Ba",
"Ni",
"O"
],
"chemical_system": "Ba-Ni-O",
"density": 6.064011988444877,
"density_atomic": 0.06994715550171833,
"volume": 371.70918264662356,
"volume_molar": 8.60955776800968,
"formula_full": "Ba6 Ni5 O15",
"formula_reduced": "Ba6(NiO3)5",
"formula_anonymous": "A5B6C15",
"energy_above_hull": 1.8879496276923076,
"spacegroup": 155
},
{
"id": "jvasp-38407",
"created_at": "2022-09-04T14:38:33.059359Z",
"updated_at": "2022-09-04T14:38:33.059390Z",
"structure_string": "Pr2 Co8 B8\n1.0\n3.789698 0.000118 0.000056\n-0.000251 7.109231 0.001846\n-0.000088 -0.001779 7.109325\nPr Co B\n2 8 8\ndirect\n0.249998 0.750000 0.250001 Pr\n0.750002 0.250000 0.750000 Pr\n0.143582 0.363853 0.393521 Co\n0.643578 0.393523 0.136150 Co\n0.643578 0.106478 0.363851 Co\n0.143584 0.136147 0.106479 Co\n0.856417 0.863853 0.893522 Co\n0.356422 0.606477 0.863850 Co\n0.356422 0.893522 0.636150 Co\n0.856419 0.636147 0.606479 Co\n0.353773 0.545291 0.588004 B\n0.146224 0.412000 0.045293 B\n0.146224 0.088000 0.454707 B\n0.646227 0.454709 0.411997 B\n0.646227 0.045291 0.088004 B\n0.853777 0.588000 0.954707 B\n0.853776 0.912000 0.545294 B\n0.353773 0.954709 0.911996 B\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Pr",
"Co",
"B"
],
"chemical_system": "B-Co-Pr",
"density": 7.280366424893424,
"density_atomic": 0.09397598350863776,
"volume": 191.5382987010244,
"volume_molar": 6.408169976158301,
"formula_full": "Pr2 Co8 B8",
"formula_reduced": "Pr(CoB)4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 4.253904864814814,
"spacegroup": 86
},
{
"id": "jvasp-25181",
"created_at": "2022-09-04T14:38:33.059011Z",
"updated_at": "2022-09-04T14:38:33.059045Z",
"structure_string": "Ti2\n1.0\n2.920565 -0.000000 0.000000\n-1.460282 2.529283 0.000000\n0.000000 0.000000 4.625412\nTi\n2\ndirect\n0.333334 0.666666 0.250000 Ti\n0.666668 0.333333 0.750000 Ti\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ti"
],
"chemical_system": "Ti",
"density": 4.652652088743699,
"density_atomic": 0.058534952671789146,
"volume": 34.16761966502619,
"volume_molar": 10.288110752846586,
"formula_full": "Ti2",
"formula_reduced": "Ti",
"formula_anonymous": "A",
"energy_above_hull": 0.0093900000000006,
"spacegroup": 194
},
{
"id": "jvasp-37778",
"created_at": "2022-09-04T14:38:33.053935Z",
"updated_at": "2022-09-04T14:38:33.053959Z",
"structure_string": "Tl6 Pb2\n1.0\n3.546360 -6.142475 0.000000\n3.546360 6.142475 -0.000000\n-0.000000 0.000000 5.657000\nTl Pb\n6 2\ndirect\n0.831865 0.168135 0.750000 Tl\n0.336271 0.168135 0.750000 Tl\n0.831865 0.663729 0.750000 Tl\n0.168135 0.831865 0.250000 Tl\n0.663729 0.831865 0.250000 Tl\n0.168135 0.336271 0.250000 Tl\n0.666667 0.333333 0.250000 Pb\n0.333333 0.666667 0.750000 Pb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tl",
"Pb"
],
"chemical_system": "Pb-Tl",
"density": 11.054416684128025,
"density_atomic": 0.03245993121448155,
"volume": 246.457700330274,
"volume_molar": 18.552537034685106,
"formula_full": "Tl6 Pb2",
"formula_reduced": "Tl3Pb",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-40356",
"created_at": "2022-09-04T14:38:33.052053Z",
"updated_at": "2022-09-04T14:38:33.052093Z",
"structure_string": "Ca1 Pr1 Cd2\n1.0\n0.000000 3.827200 3.827200\n3.827200 0.000000 3.827200\n3.827200 3.827200 0.000000\nCa Pr Cd\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Pr\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Pr",
"Cd"
],
"chemical_system": "Ca-Cd-Pr",
"density": 6.010295953650926,
"density_atomic": 0.03567685158685647,
"volume": 112.117516599296,
"volume_molar": 16.87968666556493,
"formula_full": "Ca1 Pr1 Cd2",
"formula_reduced": "CaPrCd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-57531",
"created_at": "2022-09-04T14:38:33.051038Z",
"updated_at": "2022-09-04T14:38:33.051064Z",
"structure_string": "Li4 As4 O12\n1.0\n5.103019 -0.022348 1.335244\n1.677623 6.689665 0.559681\n-0.015576 0.036233 6.919373\nLi As O\n4 4 12\ndirect\n0.749999 0.213130 0.786868 Li\n0.749999 0.896137 0.103863 Li\n0.249999 0.786870 0.213131 Li\n0.249999 0.103863 0.896136 Li\n0.261827 0.610623 0.803909 As\n0.738172 0.389377 0.196090 As\n0.238172 0.196090 0.389376 As\n0.761827 0.803910 0.610623 As\n0.011045 0.596427 0.676117 O\n0.378293 0.376211 0.877661 O\n0.988954 0.403573 0.323882 O\n0.861044 0.202185 0.034678 O\n0.121705 0.122338 0.623788 O\n0.361044 0.034679 0.202185 O\n0.488954 0.323883 0.403573 O\n0.878294 0.877662 0.376211 O\n0.638955 0.965321 0.797814 O\n0.511045 0.676117 0.596426 O\n0.138955 0.797815 0.965321 O\n0.621705 0.623788 0.122338 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"As",
"O"
],
"chemical_system": "As-Li-O",
"density": 3.645837669642928,
"density_atomic": 0.08453570146760044,
"volume": 236.58643215571232,
"volume_molar": 7.12378398173945,
"formula_full": "Li4 As4 O12",
"formula_reduced": "LiAsO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.85567645,
"spacegroup": 15
},
{
"id": "jvasp-35195",
"created_at": "2022-09-04T14:38:33.049632Z",
"updated_at": "2022-09-04T14:38:33.049670Z",
"structure_string": "Rb4 Mg4 B4 O12\n1.0\n6.964787 0.000000 -0.000000\n-0.000000 6.964787 0.000000\n-0.000000 -0.000000 6.964787\nRb Mg B O\n4 4 4 12\ndirect\n0.608262 0.391738 0.891738 Rb\n0.108262 0.108262 0.108262 Rb\n0.891738 0.608262 0.391738 Rb\n0.391738 0.891738 0.608262 Rb\n0.109046 0.609046 0.890954 Mg\n0.609046 0.890954 0.109046 Mg\n0.890954 0.109046 0.609046 Mg\n0.390954 0.390954 0.390954 Mg\n0.851357 0.851357 0.851357 B\n0.648643 0.148643 0.351357 B\n0.148643 0.351357 0.648643 B\n0.351357 0.648643 0.148643 B\n0.281132 0.498780 0.655052 O\n0.001220 0.344948 0.781132 O\n0.218868 0.501220 0.155052 O\n0.844948 0.718868 0.998780 O\n0.501220 0.155052 0.218868 O\n0.718868 0.998780 0.844948 O\n0.344948 0.781132 0.001220 O\n0.998780 0.844948 0.718868 O\n0.781132 0.001220 0.344948 O\n0.155052 0.218868 0.501220 O\n0.498780 0.655052 0.281132 O\n0.655052 0.281132 0.498780 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Rb",
"Mg",
"B",
"O"
],
"chemical_system": "B-Mg-O-Rb",
"density": 3.3143378236098764,
"density_atomic": 0.07103750901116943,
"volume": 337.84968440020066,
"volume_molar": 8.477409813248268,
"formula_full": "Rb4 Mg4 B4 O12",
"formula_reduced": "RbMgBO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.3964903555555557,
"spacegroup": 198
},
{
"id": "jvasp-20978",
"created_at": "2022-09-04T14:38:33.049476Z",
"updated_at": "2022-09-04T14:38:33.049507Z",
"structure_string": "Ca2 Ir2 O6\n1.0\n3.207034 0.000000 -0.000000\n-1.603517 4.904710 -0.000000\n-0.000000 0.000000 7.334721\nCa Ir O\n2 2 6\ndirect\n0.248426 0.496853 0.009540 Ca\n0.751571 0.503147 0.509540 Ca\n-0.000000 -0.000000 0.759539 Ir\n0.000000 0.000000 0.259539 Ir\n0.373106 0.746214 0.709401 O\n0.626891 0.253786 0.209401 O\n0.373104 0.746209 0.309680 O\n0.626894 0.253790 0.809680 O\n0.922024 0.844052 0.009541 O\n0.077974 0.155947 0.509541 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ca",
"Ir",
"O"
],
"chemical_system": "Ca-Ir-O",
"density": 8.068469431998972,
"density_atomic": 0.08667612816516157,
"volume": 115.3720200900642,
"volume_molar": 6.947865447479144,
"formula_full": "Ca2 Ir2 O6",
"formula_reduced": "CaIrO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.048888404,
"spacegroup": 63
},
{
"id": "jvasp-25180",
"created_at": "2022-09-04T14:38:33.045297Z",
"updated_at": "2022-09-04T14:38:33.045333Z",
"structure_string": "Ca1\n1.0\n3.341557 0.000000 1.929249\n1.113852 3.150450 1.929249\n0.000000 0.000000 3.858498\nCa\n1\ndirect\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.6383828520207868,
"density_atomic": 0.024618424464916175,
"volume": 40.61998368031652,
"volume_molar": 24.46192593917689,
"formula_full": "Ca1",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"energy_above_hull": 4.2000000000097525e-07,
"spacegroup": 225
},
{
"id": "jvasp-118363",
"created_at": "2022-09-04T14:38:33.040536Z",
"updated_at": "2022-09-04T14:38:33.040573Z",
"structure_string": "Ca1 Al1 N2\n1.0\n1.573286 0.908337 5.257450\n-1.573286 0.908337 5.257450\n0.000000 -1.816674 5.257450\nCa Al N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500001 0.500001 0.499998 Al\n0.233120 0.233120 0.233119 N\n0.766881 0.766881 0.766877 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Al",
"N"
],
"chemical_system": "Al-Ca-N",
"density": 3.502070870803258,
"density_atomic": 0.08873172136392231,
"volume": 45.07970699220957,
"volume_molar": 6.786908523166057,
"formula_full": "Ca1 Al1 N2",
"formula_reduced": "CaAlN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.65370493,
"spacegroup": 166
},
{
"id": "jvasp-16840",
"created_at": "2022-09-04T14:38:33.040111Z",
"updated_at": "2022-09-04T14:38:33.040136Z",
"structure_string": "Hf4 Al2\n1.0\n4.541488 0.000000 2.551977\n2.270744 4.830981 1.275988\n-0.095859 0.000000 5.487587\nHf Al\n4 2\ndirect\n0.650662 0.198677 0.500001 Hf\n0.849338 0.500000 0.801324 Hf\n0.349338 0.801323 0.500001 Hf\n0.150661 0.500000 0.198677 Hf\n0.750000 -0.000000 0.000000 Al\n0.250000 -0.000000 0.000000 Al\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Hf",
"Al"
],
"chemical_system": "Al-Hf",
"density": 10.48841090695357,
"density_atomic": 0.04935079207349129,
"volume": 121.57859576123991,
"volume_molar": 12.202723617955435,
"formula_full": "Hf4 Al2",
"formula_reduced": "Hf2Al",
"formula_anonymous": "AB2",
"energy_above_hull": 3.658402933333334,
"spacegroup": 140
},
{
"id": "jvasp-21085",
"created_at": "2022-09-04T14:38:33.040088Z",
"updated_at": "2022-09-04T14:38:33.040119Z",
"structure_string": "Ba3 Ru3 O9\n1.0\n5.392415 -0.003284 5.876459\n2.285425 4.884155 5.876459\n-0.005167 -0.003284 7.975643\nBa Ru O\n3 3 9\ndirect\n0.781917 0.781919 0.781915 Ba\n0.218083 0.218083 0.218082 Ba\n0.000000 0.000000 0.000000 Ba\n0.617218 0.617220 0.617217 Ru\n0.382782 0.382783 0.382781 Ru\n0.500000 0.500001 0.499999 Ru\n0.714838 0.246447 0.714837 O\n0.246445 0.714840 0.714837 O\n0.714839 0.714840 0.246444 O\n0.285162 0.753556 0.285160 O\n0.753555 0.285163 0.285160 O\n0.285161 0.285163 0.753554 O\n0.500001 0.500001 -0.000001 O\n-0.000000 0.500001 0.499999 O\n0.500000 0.000001 0.499999 O\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Ba",
"Ru",
"O"
],
"chemical_system": "Ba-O-Ru",
"density": 6.783337775951162,
"density_atomic": 0.07131791127002164,
"volume": 210.32584568002096,
"volume_molar": 8.444078987674162,
"formula_full": "Ba3 Ru3 O9",
"formula_reduced": "BaRuO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.039793394,
"spacegroup": 166
}
]
}