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=3560",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=3558",
"results": [
{
"id": "jvasp-89043",
"created_at": "2022-09-04T14:36:05.267495Z",
"updated_at": "2022-09-04T14:36:05.267521Z",
"structure_string": "Ba5 V5 O14\n1.0\n5.816155 0.000000 0.000000\n-2.908078 5.036938 0.000000\n0.000000 0.000000 11.989799\nBa V O\n5 5 14\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666665 0.333333 0.233694 Ba\n0.333333 0.666666 0.425144 Ba\n0.666665 0.333333 0.574855 Ba\n0.333333 0.666666 0.766306 Ba\n0.000000 0.000000 0.706751 V\n0.000000 0.000000 0.293249 V\n0.333333 0.666666 0.135145 V\n0.666665 0.333333 0.864854 V\n0.000000 0.000000 0.500000 V\n0.167417 0.832583 0.191875 O\n0.167418 0.334835 0.191875 O\n0.846631 0.153368 0.398935 O\n0.665164 0.832583 0.191875 O\n0.334835 0.167419 0.808124 O\n0.832582 0.665165 0.808124 O\n0.832582 0.167419 0.808124 O\n0.153368 0.846633 0.601067 O\n0.153368 0.306736 0.601067 O\n0.693264 0.846633 0.601067 O\n0.306737 0.153368 0.398935 O\n0.846631 0.693265 0.398935 O\n0.333333 0.666666 0.991193 O\n0.666665 0.333333 0.008808 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ba",
"V",
"O"
],
"chemical_system": "Ba-O-V",
"density": 5.509156032963111,
"density_atomic": 0.068327693719641,
"volume": 351.2485010613073,
"volume_molar": 8.813616313042509,
"formula_full": "Ba5 V5 O14",
"formula_reduced": "Ba5V5O14",
"formula_anonymous": "A5B5C14",
"energy_above_hull": 2.7663491604166675,
"spacegroup": 164
},
{
"id": "jvasp-113590",
"created_at": "2022-09-04T14:38:47.740990Z",
"updated_at": "2022-09-04T14:38:47.741014Z",
"structure_string": "Co1 Te1 O1\n1.0\n6.350127 -0.000000 0.000000\n-0.000000 6.350127 0.000000\n0.000000 0.000000 4.762595\nCo Te O\n1 1 1\ndirect\n0.352277 -0.051391 0.000000 Co\n0.015534 0.350574 0.000000 Te\n-0.127272 -0.061588 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Co",
"Te",
"O"
],
"chemical_system": "Co-O-Te",
"density": 1.75119920272803,
"density_atomic": 0.015621142021024966,
"volume": 192.04741855379137,
"volume_molar": 38.55121957085225,
"formula_full": "Co1 Te1 O1",
"formula_reduced": "CoTeO",
"formula_anonymous": "ABC",
"energy_above_hull": 2.766394055555556,
"spacegroup": 6
},
{
"id": "jvasp-20348",
"created_at": "2022-09-04T14:38:30.774095Z",
"updated_at": "2022-09-04T14:38:30.774118Z",
"structure_string": "Co6 S8\n1.0\n5.704444 -0.000000 3.293462\n1.901481 5.378202 3.293462\n-0.000000 -0.000000 6.586925\nCo S\n6 8\ndirect\n0.500000 0.000000 0.500000 Co\n-0.000000 0.500000 0.500000 Co\n0.500000 0.500000 -0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.125000 0.125000 0.125000 Co\n0.874999 0.875000 0.875001 Co\n0.742957 0.742958 0.742958 S\n0.257042 0.257042 0.728873 S\n0.257042 0.728872 0.257042 S\n0.728872 0.257042 0.257042 S\n0.742957 0.271128 0.742958 S\n0.271127 0.742958 0.742958 S\n0.257042 0.257042 0.257042 S\n0.742957 0.742958 0.271128 S\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Co",
"S"
],
"chemical_system": "Co-S",
"density": 5.013379938294619,
"density_atomic": 0.06927792738439162,
"volume": 202.08456760434512,
"volume_molar": 8.692726510979302,
"formula_full": "Co6 S8",
"formula_reduced": "Co3S4",
"formula_anonymous": "A3B4",
"energy_above_hull": 2.766437528571428,
"spacegroup": 227
},
{
"id": "jvasp-111855",
"created_at": "2022-09-04T14:38:41.089923Z",
"updated_at": "2022-09-04T14:38:41.089949Z",
"structure_string": "Mg2 V1 Cr3 S8\n1.0\n6.244631 -0.002794 3.593056\n2.075941 5.889892 3.591726\n-0.005420 -0.002918 7.204095\nMg V Cr S\n2 1 3 8\ndirect\n0.875585 0.875588 0.875592 Mg\n0.124414 0.124413 0.124411 Mg\n0.500000 0.500000 0.500000 V\n0.500000 0.499999 1.000001 Cr\n0.000001 0.499999 0.500001 Cr\n0.500001 0.999999 0.500002 Cr\n0.737420 0.737449 0.737471 S\n0.261283 0.261318 0.712963 S\n0.261268 0.712961 0.261322 S\n0.712961 0.261265 0.261285 S\n0.738733 0.287039 0.738679 S\n0.287038 0.738734 0.738717 S\n0.262581 0.262548 0.262533 S\n0.738719 0.738681 0.287039 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Mg",
"V",
"Cr",
"S"
],
"chemical_system": "Cr-Mg-S-V",
"density": 3.2066250761772555,
"density_atomic": 0.052796658929175753,
"volume": 265.16829443280386,
"volume_molar": 11.406291386881923,
"formula_full": "Mg2 V1 Cr3 S8",
"formula_reduced": "Mg2VCr3S8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.766652464285715,
"spacegroup": 166
},
{
"id": "jvasp-88522",
"created_at": "2022-09-04T14:35:55.559712Z",
"updated_at": "2022-09-04T14:35:55.559743Z",
"structure_string": "Ba1 Al3 P2 H2 O14\n1.0\n5.344648 3.229111 -3.551498\n-5.344648 3.229111 3.551498\n0.224289 0.000000 7.447078\nBa Al P H O\n1 3 2 2 14\ndirect\n0.000579 -0.000579 0.001257 Ba\n0.000582 0.999417 0.501255 Al\n0.500582 0.999416 0.501249 Al\n0.000583 0.499418 0.501249 Al\n0.276811 0.723188 0.882192 P\n0.724352 0.275647 0.120307 P\n0.326574 0.673425 0.348422 H\n0.674578 0.325422 0.654051 H\n0.024913 0.214846 0.593314 O\n0.785153 0.975087 0.593314 O\n0.688299 0.311701 0.534145 O\n0.312864 0.687135 0.468342 O\n0.882066 0.500345 0.209632 O\n0.499654 0.117933 0.209632 O\n0.134376 0.865623 0.782811 O\n0.119097 0.498491 0.792864 O\n0.866790 0.133210 0.219698 O\n0.976258 0.783986 0.409200 O\n0.655143 0.344857 0.881554 O\n0.346022 0.653978 0.120947 O\n0.501508 0.880902 0.792864 O\n0.216014 0.023741 0.409200 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Ba",
"Al",
"P",
"H",
"O"
],
"chemical_system": "Al-Ba-H-O-P",
"density": 3.206050384844031,
"density_atomic": 0.08390714572470069,
"volume": 262.1945939167326,
"volume_molar": 7.177148868534561,
"formula_full": "Ba1 Al3 P2 H2 O14",
"formula_reduced": "BaAl3P2(HO7)2",
"formula_anonymous": "AB2C2D3E14",
"energy_above_hull": 2.7667156531818184,
"spacegroup": 12
},
{
"id": "jvasp-96452",
"created_at": "2022-09-04T14:36:13.440406Z",
"updated_at": "2022-09-04T14:36:13.440432Z",
"structure_string": "Pr4 Ta4 O16\n1.0\n5.556833 0.000000 0.000000\n0.000000 7.535807 -1.376601\n0.000000 0.014008 7.795707\nPr Ta O\n4 4 16\ndirect\n0.276022 0.653995 0.400632 Pr\n0.776022 0.346006 0.099368 Pr\n0.723978 0.346006 0.599368 Pr\n0.223978 0.653995 0.900632 Pr\n0.768272 0.834008 0.196136 Ta\n0.231728 0.165993 0.803864 Ta\n0.731728 0.834008 0.696136 Ta\n0.268272 0.165993 0.303864 Ta\n0.091499 0.941443 0.297417 O\n0.591499 0.058557 0.202583 O\n0.908500 0.058557 0.702583 O\n0.408501 0.941443 0.797417 O\n0.510286 0.667607 0.131034 O\n0.346829 0.166005 0.555084 O\n0.846829 0.833995 0.944917 O\n0.514731 0.616520 0.669661 O\n0.014731 0.383481 0.830340 O\n0.485268 0.383481 0.330339 O\n0.985268 0.616520 0.169661 O\n0.989714 0.667607 0.631033 O\n0.489714 0.332394 0.868968 O\n0.010286 0.332394 0.368967 O\n0.153171 0.166005 0.055084 O\n0.653170 0.833995 0.444917 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Pr",
"Ta",
"O"
],
"chemical_system": "O-Pr-Ta",
"density": 7.848306664489082,
"density_atomic": 0.07349471154094199,
"volume": 326.55410840860606,
"volume_molar": 8.193978360803857,
"formula_full": "Pr4 Ta4 O16",
"formula_reduced": "PrTaO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.7667738416666667,
"spacegroup": 14
},
{
"id": "jvasp-35622",
"created_at": "2022-09-04T14:37:40.340332Z",
"updated_at": "2022-09-04T14:37:40.340363Z",
"structure_string": "Ti4 Ga2 N2\n1.0\n1.509891 -2.615208 0.000000\n1.509891 2.615208 -0.000000\n0.000000 -0.000000 13.250719\nTi Ga N\n4 2 2\ndirect\n0.666667 0.333332 0.412998 Ti\n0.333332 0.666667 0.587002 Ti\n0.333332 0.666667 0.912998 Ti\n0.666667 0.333332 0.087002 Ti\n0.666667 0.333332 0.750000 Ga\n0.333332 0.666667 0.250000 Ga\n0.000000 0.000000 0.000000 N\n0.000000 0.000000 0.500000 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ti",
"Ga",
"N"
],
"chemical_system": "Ga-N-Ti",
"density": 5.695533859339645,
"density_atomic": 0.07644845529461945,
"volume": 104.64567229212611,
"volume_molar": 7.877387105850191,
"formula_full": "Ti4 Ga2 N2",
"formula_reduced": "Ti2GaN",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.7667905604166667,
"spacegroup": 194
},
{
"id": "jvasp-100758",
"created_at": "2022-09-04T14:36:40.058378Z",
"updated_at": "2022-09-04T14:36:40.058414Z",
"structure_string": "Ta1 P1\n1.0\n3.333348 0.000000 0.000000\n-1.666674 2.886764 0.000000\n0.000000 0.000000 3.343213\nTa P\n1 1\ndirect\n0.666667 0.333333 -0.000000 Ta\n0.000000 0.000000 0.499999 P\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ta",
"P"
],
"chemical_system": "P-Ta",
"density": 10.938768314848517,
"density_atomic": 0.062169018637379836,
"volume": 32.170364658088346,
"volume_molar": 9.686723213576865,
"formula_full": "Ta1 P1",
"formula_reduced": "TaP",
"formula_anonymous": "AB",
"energy_above_hull": 2.76687235,
"spacegroup": 187
},
{
"id": "jvasp-71295",
"created_at": "2022-09-04T14:35:55.643802Z",
"updated_at": "2022-09-04T14:35:55.643824Z",
"structure_string": "Ta1 Be2 Pb1\n1.0\n3.384699 -0.000000 0.000000\n0.000000 3.384699 0.000000\n0.000000 0.000000 5.753114\nTa Be Pb\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ta\n0.000000 0.000000 0.172774 Be\n0.000000 0.000000 0.827226 Be\n0.500000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Be",
"Pb"
],
"chemical_system": "Be-Pb-Ta",
"density": 10.233312905120895,
"density_atomic": 0.06068996755677805,
"volume": 65.9087516607721,
"volume_molar": 9.922794495426333,
"formula_full": "Ta1 Be2 Pb1",
"formula_reduced": "TaBe2Pb",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.766925555,
"spacegroup": 123
},
{
"id": "jvasp-90165",
"created_at": "2022-09-04T14:36:03.172256Z",
"updated_at": "2022-09-04T14:36:03.172283Z",
"structure_string": "Ce2 Mn2 Se2 O3\n1.0\n4.020832 0.000000 0.000000\n0.000000 4.020832 0.000000\n-2.010415 -2.010415 9.343004\nCe Mn Se O\n2 2 2 3\ndirect\n0.315256 0.315256 0.630513 Ce\n0.684742 0.684742 0.369486 Ce\n-0.000000 0.500000 -0.000000 Mn\n0.500000 -0.000000 -0.000000 Mn\n0.896257 0.896257 0.792516 Se\n0.103741 0.103741 0.207483 Se\n0.749999 0.249999 0.500000 O\n0.249999 0.749999 0.500000 O\n0.500000 0.500000 -0.000000 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Ce",
"Mn",
"Se",
"O"
],
"chemical_system": "Ce-Mn-O-Se",
"density": 6.55233545871972,
"density_atomic": 0.05958324054381391,
"volume": 151.04918627884874,
"volume_molar": 10.107105127274306,
"formula_full": "Ce2 Mn2 Se2 O3",
"formula_reduced": "Ce2Mn2Se2O3",
"formula_anonymous": "A2B2C2D3",
"energy_above_hull": 2.7672380795657725,
"spacegroup": 139
},
{
"id": "jvasp-50396",
"created_at": "2022-09-04T14:35:44.645435Z",
"updated_at": "2022-09-04T14:35:44.645466Z",
"structure_string": "Zr4 Bi4 O14\n1.0\n-7.627679 -0.000000 0.000000\n-3.813841 6.605765 0.000000\n-3.813841 -2.201921 -6.227975\nZr Bi O\n4 4 14\ndirect\n0.750000 0.625000 0.874999 Zr\n0.750000 0.625000 0.375000 Zr\n0.250000 0.625000 0.375000 Zr\n0.250000 0.125000 0.375000 Zr\n0.750000 0.125000 0.874999 Bi\n0.250000 0.625000 0.874999 Bi\n0.750000 0.125000 0.375000 Bi\n0.250000 0.125000 0.874999 Bi\n-0.000000 0.708188 0.291812 O\n0.000000 0.291813 0.708187 O\n-0.000000 0.708188 0.708187 O\n0.416376 0.291813 0.291812 O\n0.500000 0.541813 0.041813 O\n0.083625 0.958188 0.458187 O\n0.500000 0.958188 0.458187 O\n0.500000 0.250000 0.749999 O\n0.500000 0.958188 0.041813 O\n-0.000000 0.291813 0.291812 O\n0.916376 0.541813 0.041813 O\n0.583624 0.708188 0.708187 O\n0.500000 0.541813 0.458187 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Zr",
"Bi",
"O"
],
"chemical_system": "Bi-O-Zr",
"density": 7.539515178895373,
"density_atomic": 0.0701068239223479,
"volume": 313.80682748326694,
"volume_molar": 8.589949484333046,
"formula_full": "Zr4 Bi4 O14",
"formula_reduced": "Zr2Bi2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.767255645454545,
"spacegroup": 227
},
{
"id": "jvasp-66891",
"created_at": "2022-09-04T14:35:50.115186Z",
"updated_at": "2022-09-04T14:35:50.115213Z",
"structure_string": "Be1 V1 P1\n1.0\n-1.275819 1.275819 6.388208\n1.275819 -1.275819 6.388208\n1.275819 1.275819 -6.388208\nBe V P\n1 1 1\ndirect\n0.033646 0.033646 0.000000 Be\n0.659557 0.659557 0.000000 V\n0.306798 0.306798 0.000000 P\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"V",
"P"
],
"chemical_system": "Be-P-V",
"density": 3.6301695519742707,
"density_atomic": 0.07212803221063827,
"volume": 41.59270547183354,
"volume_molar": 8.349237564686792,
"formula_full": "Be1 V1 P1",
"formula_reduced": "BeVP",
"formula_anonymous": "ABC",
"energy_above_hull": 2.7673852666666674,
"spacegroup": 107
}
]
}