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=-energy_above_hull&page=3463",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=3461",
"results": [
{
"id": "jvasp-115704",
"created_at": "2022-09-04T14:38:47.502502Z",
"updated_at": "2022-09-04T14:38:47.502524Z",
"structure_string": "Li1 Br1 O1\n1.0\n5.810529 2.173510 0.000000\n2.574261 3.799496 0.000000\n0.000000 0.000000 3.906782\nLi Br O\n1 1 1\ndirect\n0.423391 -0.054681 0.000000 Li\n-0.096361 -0.041970 0.000000 Br\n-0.055004 0.315398 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Li",
"Br",
"O"
],
"chemical_system": "Br-Li-O",
"density": 2.652181871101776,
"density_atomic": 0.046590225294954095,
"volume": 64.39118894591205,
"volume_molar": 12.925760117867947,
"formula_full": "Li1 Br1 O1",
"formula_reduced": "LiBrO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5982758683333335,
"spacegroup": 6
},
{
"id": "jvasp-42071",
"created_at": "2022-09-04T14:37:32.839422Z",
"updated_at": "2022-09-04T14:37:32.839440Z",
"structure_string": "Pm1 Al1 Ag2\n1.0\n0.000000 3.472602 3.472602\n3.472602 -0.000000 3.472602\n3.472602 3.472602 0.000000\nPm Al Ag\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Pm\n0.250001 0.250001 0.250001 Al\n0.000000 0.000000 0.000000 Ag\n0.499999 0.499999 0.499999 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pm",
"Al",
"Ag"
],
"chemical_system": "Ag-Al-Pm",
"density": 7.68723156615735,
"density_atomic": 0.04776007086932644,
"volume": 83.75196952584447,
"volume_molar": 12.609153735296646,
"formula_full": "Pm1 Al1 Ag2",
"formula_reduced": "PmAlAg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.59821462375,
"spacegroup": 225
},
{
"id": "jvasp-38866",
"created_at": "2022-09-04T14:37:56.018923Z",
"updated_at": "2022-09-04T14:37:56.018942Z",
"structure_string": "Nd1 Cd1 Pd2\n1.0\n0.000000 3.458917 3.458917\n3.458917 0.000000 3.458917\n3.458917 3.458917 0.000000\nNd Cd Pd\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Nd\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nd",
"Cd",
"Pd"
],
"chemical_system": "Cd-Nd-Pd",
"density": 9.419498922082902,
"density_atomic": 0.048329196317776525,
"volume": 82.76570488983516,
"volume_molar": 12.460668123680191,
"formula_full": "Nd1 Cd1 Pd2",
"formula_reduced": "NdCdPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5980081625,
"spacegroup": 225
},
{
"id": "jvasp-74485",
"created_at": "2022-09-04T14:35:54.339595Z",
"updated_at": "2022-09-04T14:35:54.339605Z",
"structure_string": "Sr1 Be2 Zn1\n1.0\n-2.341518 2.341518 3.311727\n2.341518 -2.341518 3.311727\n2.341518 2.341518 -3.311727\nSr Be Zn\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Be\n0.250000 0.750001 0.500000 Be\n0.750001 0.250000 0.500000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Be",
"Zn"
],
"chemical_system": "Be-Sr-Zn",
"density": 3.9108503292689036,
"density_atomic": 0.05507448817502039,
"volume": 72.62890918365795,
"volume_molar": 10.934537858731122,
"formula_full": "Sr1 Be2 Zn1",
"formula_reduced": "SrBe2Zn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5979660874999999,
"spacegroup": 216
},
{
"id": "jvasp-25438",
"created_at": "2022-09-04T14:37:32.640172Z",
"updated_at": "2022-09-04T14:37:32.640209Z",
"structure_string": "Tl4 Pd2 Se4\n1.0\n3.732866 0.000000 0.000000\n0.000000 6.186635 0.000000\n0.000000 0.000000 11.380763\nTl Pd Se\n4 2 4\ndirect\n0.000000 0.611960 0.153104 Tl\n0.000000 0.388039 0.846896 Tl\n0.000000 0.111960 0.346896 Tl\n0.000000 0.888039 0.653104 Tl\n0.000000 0.000000 0.000000 Pd\n0.000000 0.500000 0.500000 Pd\n0.500001 0.681178 0.388614 Se\n0.500001 0.318822 0.611386 Se\n0.500001 0.181178 0.111386 Se\n0.500001 0.818821 0.888614 Se\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Tl",
"Pd",
"Se"
],
"chemical_system": "Pd-Se-Tl",
"density": 8.50539853965521,
"density_atomic": 0.03804799064769451,
"volume": 262.825968724473,
"volume_molar": 15.827749790421342,
"formula_full": "Tl4 Pd2 Se4",
"formula_reduced": "Tl2PdSe2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.5979655266666669,
"spacegroup": 55
},
{
"id": "jvasp-1432",
"created_at": "2022-09-04T14:36:53.961681Z",
"updated_at": "2022-09-04T14:36:53.961704Z",
"structure_string": "Na1 Tl1 O2\n1.0\n3.233606 -0.015685 4.858830\n1.457378 2.886607 4.858830\n-0.025628 -0.015685 5.836418\nNa Tl O\n1 1 2\ndirect\n0.500000 0.500002 0.499999 Na\n0.000000 0.000000 0.000000 Tl\n0.743137 0.743141 0.743136 O\n0.256862 0.256864 0.256862 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Tl",
"O"
],
"chemical_system": "Na-O-Tl",
"density": 7.815484257464149,
"density_atomic": 0.07258450417607781,
"volume": 55.10818108361906,
"volume_molar": 8.296730587828081,
"formula_full": "Na1 Tl1 O2",
"formula_reduced": "NaTlO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5978883749999999,
"spacegroup": 166
},
{
"id": "jvasp-105817",
"created_at": "2022-09-04T14:36:19.833868Z",
"updated_at": "2022-09-04T14:36:19.833897Z",
"structure_string": "Mg1 Ge3\n1.0\n3.871754 0.032621 -4.536476\n-0.419170 3.541322 -4.780636\n-0.019355 -0.032621 5.964035\nMg Ge\n1 3\ndirect\n0.213880 0.500000 0.713879 Mg\n0.731006 0.773933 0.957071 Ge\n0.183140 0.226067 0.957073 Ge\n0.705300 -0.000000 0.705300 Ge\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Ge"
],
"chemical_system": "Ge-Mg",
"density": 4.97300794427961,
"density_atomic": 0.04945509976492845,
"volume": 80.88144638293981,
"volume_molar": 12.17698637476141,
"formula_full": "Mg1 Ge3",
"formula_reduced": "MgGe3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.5978216649999999,
"spacegroup": 44
},
{
"id": "jvasp-85235",
"created_at": "2022-09-04T14:37:10.293965Z",
"updated_at": "2022-09-04T14:37:10.293977Z",
"structure_string": "Li4 U2 I12\n1.0\n7.364740 -0.000000 0.000000\n-3.682370 6.378052 -0.000000\n0.000000 0.000000 13.816631\nLi U I\n4 2 12\ndirect\n0.666667 0.333333 0.250000 Li\n0.333333 0.666667 0.750000 Li\n0.000000 0.000000 0.250000 Li\n0.000000 0.000000 0.750000 Li\n0.666667 0.333333 0.750000 U\n0.333333 0.666667 0.250000 U\n-0.001804 0.331415 0.124762 I\n0.001803 0.668584 0.875238 I\n0.668584 0.666781 0.124762 I\n0.331415 0.333219 0.875238 I\n-0.001804 0.666781 0.375238 I\n0.666781 0.668584 0.624762 I\n0.666781 -0.001804 0.875238 I\n0.668585 0.001804 0.375238 I\n0.001803 0.333219 0.624762 I\n0.333219 0.001804 0.124762 I\n0.333219 0.331415 0.375238 I\n0.331415 -0.001804 0.624762 I\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Li",
"U",
"I"
],
"chemical_system": "I-Li-U",
"density": 5.185440700851924,
"density_atomic": 0.0277347893012524,
"volume": 649.0043895587548,
"volume_molar": 21.713309932114974,
"formula_full": "Li4 U2 I12",
"formula_reduced": "Li2UI6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.5976292944444446,
"spacegroup": 163
},
{
"id": "jvasp-87874",
"created_at": "2022-09-04T14:35:54.245133Z",
"updated_at": "2022-09-04T14:35:54.245143Z",
"structure_string": "Na1 Zr2 Ti1 F11\n1.0\n5.365721 0.010567 2.038666\n1.007227 5.270347 2.038666\n0.001259 0.001043 7.854119\nNa Zr Ti F\n1 2 1 11\ndirect\n0.000000 0.000000 0.000000 Na\n0.503148 0.503148 0.766542 Zr\n0.496852 0.496853 0.233458 Zr\n0.000000 -0.000000 0.500000 Ti\n0.808615 0.216991 0.690446 F\n0.783009 0.191385 0.309554 F\n0.191385 0.783009 0.309554 F\n0.216992 0.808615 0.690446 F\n0.500000 0.500000 0.500000 F\n0.328505 0.671496 0.000000 F\n0.671495 0.328505 0.000000 F\n0.247652 0.247652 0.356407 F\n0.752348 0.752348 0.643593 F\n0.263686 0.263685 0.892056 F\n0.736315 0.736316 0.107945 F\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Na",
"Zr",
"Ti",
"F"
],
"chemical_system": "F-Na-Ti-Zr",
"density": 3.4578346230178347,
"density_atomic": 0.06756697988829587,
"volume": 222.00193089580938,
"volume_molar": 8.91284584564238,
"formula_full": "Na1 Zr2 Ti1 F11",
"formula_reduced": "NaZr2TiF11",
"formula_anonymous": "ABC2D11",
"energy_above_hull": 0.5976006293888894,
"spacegroup": 12
},
{
"id": "jvasp-101014",
"created_at": "2022-09-04T14:36:41.029108Z",
"updated_at": "2022-09-04T14:36:41.029134Z",
"structure_string": "Sc2 Cd1 Ga1\n1.0\n4.203838 -0.000000 2.427087\n1.401279 3.963416 2.427087\n-0.000000 -0.000000 4.854174\nSc Cd Ga\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750001 0.750000 Sc\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Cd",
"Ga"
],
"chemical_system": "Cd-Ga-Sc",
"density": 5.585476019395644,
"density_atomic": 0.04945714264965762,
"volume": 80.87810548084082,
"volume_molar": 12.176483390193773,
"formula_full": "Sc2 Cd1 Ga1",
"formula_reduced": "Sc2CdGa",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.59739314375,
"spacegroup": 225
},
{
"id": "jvasp-39267",
"created_at": "2022-09-04T14:37:51.706777Z",
"updated_at": "2022-09-04T14:37:51.706804Z",
"structure_string": "Lu2 Al1 Zn1\n1.0\n-0.000000 3.501763 3.501763\n3.501763 0.000000 3.501763\n3.501763 3.501763 -0.000000\nLu Al Zn\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500001 0.500001 0.500001 Lu\n0.249999 0.249999 0.249999 Al\n0.749999 0.749999 0.749999 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Lu",
"Al",
"Zn"
],
"chemical_system": "Al-Lu-Zn",
"density": 8.552633977103792,
"density_atomic": 0.0465768106464955,
"volume": 85.8796457825084,
"volume_molar": 12.92948288303015,
"formula_full": "Lu2 Al1 Zn1",
"formula_reduced": "Lu2AlZn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5973786750000001,
"spacegroup": 225
},
{
"id": "jvasp-86770",
"created_at": "2022-09-04T14:35:42.240094Z",
"updated_at": "2022-09-04T14:35:42.240116Z",
"structure_string": "Rb2 Cr2 Cl6\n1.0\n6.164271 0.022637 -0.272324\n-0.174876 6.004170 -3.459366\n0.043422 0.013045 6.965051\nRb Cr Cl\n2 2 6\ndirect\n0.756708 0.333368 0.666735 Rb\n0.243290 0.666633 0.333265 Rb\n0.500000 0.000000 0.000000 Cr\n0.000000 0.000000 0.000000 Cr\n0.224662 0.675588 0.838271 Cl\n0.224663 0.162684 0.838271 Cl\n0.303492 0.166964 0.333927 Cl\n0.775337 0.324413 0.161729 Cl\n0.775336 0.837317 0.161729 Cl\n0.696507 0.833038 0.666073 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Cr",
"Cl"
],
"chemical_system": "Cl-Cr-Rb",
"density": 3.136642391497426,
"density_atomic": 0.038735701203431394,
"volume": 258.1597773971406,
"volume_molar": 15.54674518055847,
"formula_full": "Rb2 Cr2 Cl6",
"formula_reduced": "RbCrCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.5972019204999998,
"spacegroup": 12
}
]
}