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=density&page=1295",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=1293",
"results": [
{
"id": "jvasp-102985",
"created_at": "2022-09-04T14:37:00.007022Z",
"updated_at": "2022-09-04T14:37:00.007044Z",
"structure_string": "Sr1 Mg1 O3\n1.0\n3.998820 0.000000 0.000000\n-0.000000 3.998820 0.000000\n-0.000000 -0.000000 3.998820\nSr Mg O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"O"
],
"chemical_system": "Mg-O-Sr",
"density": 4.153029366463877,
"density_atomic": 0.07819418143803418,
"volume": 63.94337670715696,
"volume_molar": 7.70152030400409,
"formula_full": "Sr1 Mg1 O3",
"formula_reduced": "SrMgO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.9183753999999996,
"spacegroup": 221
},
{
"id": "jvasp-20948",
"created_at": "2022-09-04T14:38:30.572590Z",
"updated_at": "2022-09-04T14:38:30.572620Z",
"structure_string": "K8 Ta4 F28\n1.0\n0.000000 5.802316 -0.012428\n12.705844 0.000000 0.000000\n0.000000 -0.026461 -8.506803\nK Ta F\n8 4 28\ndirect\n0.764805 0.218004 0.943747 K\n0.235196 0.718004 0.556253 K\n0.235195 0.781996 0.056253 K\n0.764805 0.281996 0.443747 K\n0.235892 0.060283 0.679836 K\n0.764109 0.560283 0.820164 K\n0.764109 0.939717 0.320164 K\n0.235892 0.439717 0.179836 K\n0.275701 0.127541 0.219601 Ta\n0.724300 0.627541 0.280399 Ta\n0.275701 0.372458 0.719601 Ta\n0.724300 0.872458 0.780399 Ta\n0.535451 0.742139 0.793910 F\n0.043741 0.256514 0.696652 F\n0.464550 0.257861 0.206089 F\n0.535451 0.757861 0.293911 F\n0.464550 0.242139 0.706089 F\n0.530916 0.609753 0.089314 F\n0.957321 0.606789 0.110351 F\n0.957321 0.893211 0.610350 F\n0.042680 0.393211 0.889649 F\n0.469084 0.109753 0.410686 F\n0.956259 0.756514 0.803348 F\n0.042680 0.106789 0.389650 F\n0.956259 0.743485 0.303348 F\n0.189423 0.121612 -0.002989 F\n0.213823 0.975229 0.212500 F\n0.786178 0.475229 0.287501 F\n0.786178 0.024771 0.787500 F\n0.213823 0.524771 0.712499 F\n0.530916 0.890247 0.589314 F\n0.810578 0.621612 0.502989 F\n0.810578 0.878388 0.002989 F\n0.189423 0.378388 0.497011 F\n0.569281 0.076369 0.128053 F\n0.430719 0.576369 0.371948 F\n0.430719 0.923631 0.871947 F\n0.569281 0.423631 0.628052 F\n0.043741 0.243486 0.196652 F\n0.469085 0.390247 0.910686 F\n",
"nsites": 40,
"nelements": 3,
"elements": [
"K",
"Ta",
"F"
],
"chemical_system": "F-K-Ta",
"density": 4.153064255816369,
"density_atomic": 0.06378019257589548,
"volume": 627.1539546137595,
"volume_molar": 9.442023482186778,
"formula_full": "K8 Ta4 F28",
"formula_reduced": "K2TaF7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 0.1225187177500006,
"spacegroup": 14
},
{
"id": "jvasp-66162",
"created_at": "2022-09-04T14:36:17.752593Z",
"updated_at": "2022-09-04T14:36:17.752622Z",
"structure_string": "Ba1 Ca1 In1\n1.0\n0.000000 3.880197 3.880197\n3.880197 0.000000 3.880197\n3.880197 3.880197 0.000000\nBa Ca In\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Ba\n0.750001 0.750001 0.750001 Ca\n0.000000 0.000000 0.000000 In\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"In"
],
"chemical_system": "Ba-Ca-In",
"density": 4.153097912954409,
"density_atomic": 0.025676151668948148,
"volume": 116.8399392042888,
"volume_molar": 23.45421867593565,
"formula_full": "Ba1 Ca1 In1",
"formula_reduced": "BaCaIn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-9418",
"created_at": "2022-09-04T14:37:10.993520Z",
"updated_at": "2022-09-04T14:37:10.993540Z",
"structure_string": "Mn4 Si4 N8\n1.0\n5.119467 0.000000 0.000000\n0.000000 5.318689 0.000000\n0.000000 0.000000 6.521851\nMn Si N\n4 4 8\ndirect\n0.001691 0.579833 0.875981 Mn\n0.501691 0.420167 0.124019 Mn\n0.501691 0.920168 0.375981 Mn\n0.001691 0.079833 0.624018 Mn\n0.006581 0.068751 0.125228 Si\n0.506581 0.431249 0.625228 Si\n0.506581 0.931249 0.874772 Si\n0.006581 0.568751 0.374772 Si\n0.347971 0.549096 0.407095 N\n0.847972 0.450904 0.592904 N\n0.847972 0.950904 0.907095 N\n0.347971 0.049096 0.092904 N\n0.417757 0.612668 0.841679 N\n0.417757 0.112668 0.658321 N\n0.917758 0.887332 0.341679 N\n0.917758 0.387332 0.158321 N\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mn",
"Si",
"N"
],
"chemical_system": "Mn-N-Si",
"density": 4.1531381351229095,
"density_atomic": 0.09009895743827338,
"volume": 177.5825209849023,
"volume_molar": 6.683918361792096,
"formula_full": "Mn4 Si4 N8",
"formula_reduced": "MnSiN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.241803085344827,
"spacegroup": 33
},
{
"id": "jvasp-122032",
"created_at": "2022-09-04T14:38:54.812887Z",
"updated_at": "2022-09-04T14:38:54.812912Z",
"structure_string": "Pd6 Cl12\n1.0\n4.776606 -0.312408 0.468250\n1.245283 9.707716 0.904892\n0.051339 -0.218193 9.085076\nPd Cl\n6 12\ndirect\n0.534693 0.823011 0.076658 Pd\n0.014975 0.291607 0.170407 Pd\n0.256469 0.434721 0.621479 Pd\n0.465307 0.176989 0.923342 Pd\n0.985025 0.708394 0.829593 Pd\n0.743532 0.565279 0.378521 Pd\n0.349937 0.533741 0.839091 Cl\n0.146532 0.040559 0.554999 Cl\n0.029294 0.359761 0.418123 Cl\n0.650063 0.466259 0.160909 Cl\n0.475891 0.766952 0.332112 Cl\n0.524109 0.233049 0.667888 Cl\n0.616999 0.877994 0.820111 Cl\n0.970706 0.640240 0.581878 Cl\n0.045805 0.783466 0.068102 Cl\n0.383001 0.122006 0.179889 Cl\n-0.045806 0.216534 -0.068102 Cl\n0.853469 0.959442 0.445001 Cl\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Pd",
"Cl"
],
"chemical_system": "Cl-Pd",
"density": 4.153354247554608,
"density_atomic": 0.042315425679643213,
"volume": 425.3767913448949,
"volume_molar": 14.231549519533928,
"formula_full": "Pd6 Cl12",
"formula_reduced": "PdCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.4513112783333333,
"spacegroup": 2
},
{
"id": "jvasp-10259",
"created_at": "2022-09-04T14:38:10.262213Z",
"updated_at": "2022-09-04T14:38:10.262242Z",
"structure_string": "Li6 U1 O6\n1.0\n5.334619 -0.003641 -1.044804\n-1.268604 5.181584 -1.044807\n-0.002859 -0.003638 5.435970\nLi U O\n6 1 6\ndirect\n0.643260 0.354273 0.002572 Li\n0.356740 0.645726 0.997428 Li\n0.645728 0.997428 0.356740 Li\n0.997429 0.356739 0.645727 Li\n0.354273 0.002571 0.643260 Li\n0.002572 0.643260 0.354273 Li\n0.000000 0.000000 0.000000 U\n0.102829 0.730798 0.728396 O\n0.897172 0.269201 0.271604 O\n0.269202 0.271602 0.897172 O\n0.271604 0.897171 0.269201 O\n0.730799 0.728396 0.102829 O\n0.728397 0.102828 0.730799 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Li",
"U",
"O"
],
"chemical_system": "Li-O-U",
"density": 4.153402767212229,
"density_atomic": 0.086554623874525,
"volume": 150.19417124203108,
"volume_molar": 6.9576187734696555,
"formula_full": "Li6 U1 O6",
"formula_reduced": "Li6UO6",
"formula_anonymous": "AB6C6",
"energy_above_hull": 2.1240443846153845,
"spacegroup": 166
},
{
"id": "jvasp-69676",
"created_at": "2022-09-04T14:35:54.676865Z",
"updated_at": "2022-09-04T14:35:54.676890Z",
"structure_string": "Sr1 Zr1 Be2\n1.0\n-2.031963 2.031963 4.765694\n2.031963 -2.031963 4.765694\n2.031963 2.031963 -4.765694\nSr Zr Be\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Sr\n0.749999 0.250000 0.499999 Zr\n0.000000 0.000000 0.000000 Be\n0.250000 0.749999 0.499999 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Zr",
"Be"
],
"chemical_system": "Be-Sr-Zr",
"density": 4.153433809880348,
"density_atomic": 0.05082088872153445,
"volume": 78.70779320521939,
"volume_molar": 11.849735239770068,
"formula_full": "Sr1 Zr1 Be2",
"formula_reduced": "SrZrBe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.0319257525,
"spacegroup": 119
},
{
"id": "jvasp-98534",
"created_at": "2022-09-04T14:35:52.040113Z",
"updated_at": "2022-09-04T14:35:52.040136Z",
"structure_string": "Na6 Th2 P6 O22\n1.0\n6.514513 0.296474 -0.374004\n-2.585618 7.751836 -2.950136\n-0.001155 0.037701 8.874105\nNa Th P O\n6 2 6 22\ndirect\n0.406508 0.181805 0.564441 Na\n0.360811 0.992663 0.131169 Na\n0.639187 0.007337 0.868832 Na\n0.593490 0.818195 0.435559 Na\n0.305614 0.586751 0.040944 Na\n0.694384 0.413249 0.959056 Na\n0.926080 0.665459 0.711969 Th\n0.073918 0.334541 0.288032 Th\n0.147844 0.137641 0.869089 P\n0.100033 0.780947 0.363830 P\n0.852154 0.862359 0.130911 P\n0.595236 0.384508 0.293033 P\n0.899965 0.219053 0.636170 P\n0.404763 0.615492 0.706967 P\n0.908707 0.717633 0.997260 O\n0.501241 0.507140 0.239101 O\n0.889155 0.821729 0.296219 O\n0.498758 0.492860 0.760899 O\n0.709265 0.279196 0.162235 O\n0.699774 0.095262 0.646561 O\n0.110843 0.178271 0.703781 O\n0.911592 0.402319 0.746060 O\n0.406851 0.262509 0.332016 O\n0.934944 0.200442 0.463393 O\n0.988011 0.966253 0.839666 O\n0.620914 0.859477 0.109086 O\n0.011987 0.033747 0.160335 O\n0.300224 0.904738 0.353439 O\n0.379085 0.140523 0.890914 O\n0.091291 0.282367 0.002740 O\n0.088406 0.597681 0.253940 O\n0.290733 0.720804 0.837765 O\n0.593147 0.737491 0.667985 O\n0.226551 0.526181 0.556358 O\n0.065055 0.799558 0.536607 O\n0.773448 0.473819 0.443643 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Na",
"Th",
"P",
"O"
],
"chemical_system": "Na-O-P-Th",
"density": 4.153525365718345,
"density_atomic": 0.07899958535883322,
"volume": 455.6985943214791,
"volume_molar": 7.623002997605788,
"formula_full": "Na6 Th2 P6 O22",
"formula_reduced": "Na3ThP3O11",
"formula_anonymous": "AB3C3D11",
"energy_above_hull": 2.412499866666667,
"spacegroup": 2
},
{
"id": "jvasp-99477",
"created_at": "2022-09-04T14:36:11.413329Z",
"updated_at": "2022-09-04T14:36:11.413360Z",
"structure_string": "K2 Pr1 Cu1 I6\n1.0\n7.264758 -0.000000 4.194310\n2.421586 6.849279 4.194310\n-0.000000 -0.000000 8.388620\nK Pr Cu I\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Cu\n0.760810 0.239191 0.239191 I\n0.239191 0.239191 0.760809 I\n0.239191 0.760809 0.760809 I\n0.239191 0.760809 0.239191 I\n0.760810 0.239191 0.760809 I\n0.760810 0.760809 0.239190 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Pr",
"Cu",
"I"
],
"chemical_system": "Cu-I-K-Pr",
"density": 4.15360434166576,
"density_atomic": 0.02395760881474248,
"volume": 417.4039269664688,
"volume_molar": 25.13665201968835,
"formula_full": "K2 Pr1 Cu1 I6",
"formula_reduced": "K2PrCuI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-69503",
"created_at": "2022-09-04T14:35:50.020594Z",
"updated_at": "2022-09-04T14:35:50.020615Z",
"structure_string": "Mn1 Be2 Si1\n1.0\n2.926806 0.000000 0.000000\n0.000000 2.926806 0.000000\n0.000000 0.000000 4.715860\nMn Be Si\n1 2 1\ndirect\n0.000000 0.000000 0.500856 Mn\n0.000000 0.000000 0.015841 Be\n0.500001 0.500001 0.244475 Be\n0.500001 0.500001 0.738828 Si\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Be",
"Si"
],
"chemical_system": "Be-Mn-Si",
"density": 4.15362850724067,
"density_atomic": 0.09901733065647585,
"volume": 40.39696862640475,
"volume_molar": 6.081905783637831,
"formula_full": "Mn1 Be2 Si1",
"formula_reduced": "MnBe2Si",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.746107010344827,
"spacegroup": 99
},
{
"id": "jvasp-118278",
"created_at": "2022-09-04T14:38:32.103379Z",
"updated_at": "2022-09-04T14:38:32.103408Z",
"structure_string": "Y1 Mn1 F3\n1.0\n3.286437 -3.583949 0.046945\n3.286437 3.583949 0.046945\n-0.048254 0.000000 3.407504\nY Mn F\n1 1 3\ndirect\n0.902558 0.902558 0.000020 Y\n0.326587 0.326587 0.499809 Mn\n0.556922 0.556922 0.000056 F\n0.046838 0.656726 0.500035 F\n0.656726 0.046838 0.500035 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Y",
"Mn",
"F"
],
"chemical_system": "F-Mn-Y",
"density": 4.153899928737236,
"density_atomic": 0.062277140032754315,
"volume": 80.28628156929297,
"volume_molar": 9.66990577414552,
"formula_full": "Y1 Mn1 F3",
"formula_reduced": "YMnF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.9005607077758621,
"spacegroup": 38
},
{
"id": "jvasp-8264",
"created_at": "2022-09-04T14:36:51.811226Z",
"updated_at": "2022-09-04T14:36:51.811257Z",
"structure_string": "Mn1 O2\n1.0\n5.096671 -0.462368 -0.273852\n4.540790 2.360311 -0.273852\n4.540790 0.894236 2.201455\nMn O\n1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.600999 0.600999 0.600999 O\n0.399001 0.399001 0.399001 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mn",
"O"
],
"chemical_system": "Mn-O",
"density": 4.154178766475137,
"density_atomic": 0.08632835462074268,
"volume": 34.75103878881494,
"volume_molar": 6.975854904748782,
"formula_full": "Mn1 O2",
"formula_reduced": "MnO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.1037814137931043,
"spacegroup": 166
}
]
}