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=-volume&page=1097",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=1095",
"results": [
{
"id": "jvasp-10814",
"created_at": "2022-09-04T14:37:12.146198Z",
"updated_at": "2022-09-04T14:37:12.146214Z",
"structure_string": "Mg1 Cr4 S8\n1.0\n6.920053 0.010069 0.007120\n3.468747 6.008044 0.000000\n3.468747 2.002681 5.664440\nMg Cr S\n1 4 8\ndirect\n0.500000 0.000000 -0.000000 Mg\n0.000001 0.500000 0.500000 Cr\n0.500000 0.500000 -0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.500000 -0.000000 0.500000 Cr\n0.254191 0.257257 0.257257 S\n0.254191 0.257257 0.731295 S\n0.254191 0.731294 0.257257 S\n0.729823 0.256726 0.256726 S\n0.270178 0.743274 0.743274 S\n0.745810 0.742742 0.268705 S\n0.745810 0.268705 0.742743 S\n0.745810 0.742742 0.742743 S\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mg",
"Cr",
"S"
],
"chemical_system": "Cr-Mg-S",
"density": 3.450934742282191,
"density_atomic": 0.055270253011528325,
"volume": 235.20789740709975,
"volume_molar": 10.895808200378413,
"formula_full": "Mg1 Cr4 S8",
"formula_reduced": "Mg(CrS2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 3.10039681923077,
"spacegroup": 166
},
{
"id": "jvasp-122466",
"created_at": "2022-09-04T14:38:54.108663Z",
"updated_at": "2022-09-04T14:38:54.108700Z",
"structure_string": "Sr3 Ti2 Mn2 Bi1 O12\n1.0\n5.273271 0.001865 7.905640\n2.396093 4.697460 7.905640\n0.003043 0.001865 9.502975\nSr Ti Mn Bi O\n3 2 2 1 12\ndirect\n0.747846 0.747844 0.747848 Sr\n0.500000 0.499999 0.500001 Sr\n0.252154 0.252153 0.252155 Sr\n0.124474 0.124474 0.124475 Ti\n0.875525 0.875524 0.875528 Ti\n0.625242 0.625241 0.625243 Mn\n0.374758 0.374757 0.374759 Mn\n0.000000 0.000000 0.000000 Bi\n0.250217 0.752703 0.752705 O\n-0.000000 0.499999 0.500001 O\n-0.000000 -0.000001 0.500001 O\n0.247296 0.247295 0.749784 O\n0.752703 0.752703 0.250219 O\n0.500000 -0.000001 0.500001 O\n0.752704 0.250216 0.752705 O\n-0.000000 0.500000 0.000000 O\n0.749782 0.247295 0.247297 O\n0.247296 0.749782 0.247297 O\n0.500000 0.499999 0.000001 O\n0.500000 -0.000001 0.000000 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Sr",
"Ti",
"Mn",
"Bi",
"O"
],
"chemical_system": "Bi-Mn-O-Sr-Ti",
"density": 6.138365734383402,
"density_atomic": 0.08503395891776291,
"volume": 235.2001512635931,
"volume_molar": 7.082042088413248,
"formula_full": "Sr3 Ti2 Mn2 Bi1 O12",
"formula_reduced": "Sr3Ti2Mn2BiO12",
"formula_anonymous": "AB2C2D3E12",
"energy_above_hull": 2.6621073189712643,
"spacegroup": 166
},
{
"id": "jvasp-120422",
"created_at": "2022-09-04T14:38:52.807372Z",
"updated_at": "2022-09-04T14:38:52.807402Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n4.957778 -0.008550 0.576966\n4.154977 2.704774 0.576966\n-0.012305 -0.003641 17.490970\nLi Mn Co O\n8 2 4 14\ndirect\n0.294476 0.294475 0.931293 Li\n0.856587 0.856584 0.776304 Li\n0.408868 0.408867 0.625283 Li\n-0.002956 -0.002956 0.501135 Li\n0.567312 0.567310 0.360931 Li\n0.142039 0.142038 0.220227 Li\n0.720151 0.720149 0.078668 Li\n0.710123 0.710121 0.562205 Li\n0.007409 0.007409 0.006073 Mn\n0.580143 0.580141 0.860400 Mn\n0.856428 0.856425 0.285134 Co\n0.431355 0.431354 0.145578 Co\n0.132729 0.132728 0.697572 Co\n0.282802 0.282800 0.427639 Co\n0.063141 0.063140 0.108562 O\n0.374452 0.374451 0.040922 O\n0.948737 0.948734 0.903614 O\n0.514286 0.514284 0.765326 O\n0.058536 0.058536 0.608816 O\n0.656171 0.656168 0.454969 O\n0.229593 0.229592 0.320158 O\n0.804147 0.804144 0.180642 O\n0.208656 0.208655 0.834073 O\n0.770808 0.770805 0.680605 O\n0.350069 0.350068 0.520635 O\n0.910659 0.910656 0.385868 O\n0.485125 0.485123 0.247137 O\n0.638189 0.638187 0.970239 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.413658405744303,
"density_atomic": 0.11905245996295337,
"volume": 235.19043628928804,
"volume_molar": 5.058392545499658,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.5594952529556654,
"spacegroup": 8
},
{
"id": "jvasp-42324",
"created_at": "2022-09-04T14:35:45.947328Z",
"updated_at": "2022-09-04T14:35:45.947346Z",
"structure_string": "Ca2 Fe1 P2 H8 O12\n1.0\n5.901683 0.033183 -0.010990\n1.583158 6.240589 0.035912\n1.403988 2.030254 6.404784\nCa Fe P H O\n2 1 2 8 12\ndirect\n0.703658 0.664517 0.791178 Ca\n0.296343 0.335482 0.208821 Ca\n0.000000 0.000000 0.000000 Fe\n0.774176 0.562140 0.284564 P\n0.225825 0.437859 0.715435 P\n0.770104 0.171259 0.291829 H\n0.821640 0.143992 0.623559 H\n0.624904 0.167772 0.809993 H\n0.322468 0.061277 0.672994 H\n0.178360 0.856008 0.376440 H\n0.229896 0.828740 0.708170 H\n0.677533 0.938723 0.327005 H\n0.375096 0.832227 0.190006 H\n0.759854 0.053530 0.768651 O\n0.309328 0.905864 0.775354 O\n0.240147 0.946469 0.231348 O\n0.680953 0.681315 0.452509 O\n0.979941 0.668471 0.127537 O\n0.113181 0.690710 0.622422 O\n0.425940 0.407732 0.845966 O\n0.574060 0.592267 0.154033 O\n0.886820 0.309289 0.377577 O\n0.020059 0.331528 0.872462 O\n0.319048 0.318684 0.547490 O\n0.690672 0.094135 0.224645 O\n",
"nsites": 25,
"nelements": 5,
"elements": [
"Ca",
"Fe",
"P",
"H",
"O"
],
"chemical_system": "Ca-Fe-H-O-P",
"density": 2.8101519924292897,
"density_atomic": 0.10629977948994451,
"volume": 235.18393095410784,
"volume_molar": 5.665242946783035,
"formula_full": "Ca2 Fe1 P2 H8 O12",
"formula_reduced": "Ca2FeP2(H2O3)4",
"formula_anonymous": "AB2C2D8E12",
"energy_above_hull": 2.8904347736000005,
"spacegroup": 2
},
{
"id": "jvasp-66630",
"created_at": "2022-09-04T14:36:15.480494Z",
"updated_at": "2022-09-04T14:36:15.480522Z",
"structure_string": "Ba4 Ge1 Mo1\n1.0\n-0.000000 4.899182 4.899182\n4.899182 0.000000 4.899182\n4.899182 4.899182 0.000000\nBa Ge Mo\n4 1 1\ndirect\n0.127083 0.624305 0.624305 Ba\n0.624305 0.624305 0.624305 Ba\n0.624305 0.127083 0.624305 Ba\n0.624305 0.624305 0.127083 Ba\n0.250000 0.250000 0.250000 Ge\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ge",
"Mo"
],
"chemical_system": "Ba-Ge-Mo",
"density": 5.068799065399616,
"density_atomic": 0.025512354127558954,
"volume": 235.18017859115088,
"volume_molar": 23.60480232396415,
"formula_full": "Ba4 Ge1 Mo1",
"formula_reduced": "Ba4GeMo",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.2450226216666664,
"spacegroup": 216
},
{
"id": "jvasp-90574",
"created_at": "2022-09-04T14:35:40.960427Z",
"updated_at": "2022-09-04T14:35:40.960455Z",
"structure_string": "Y6 Mg2\n1.0\n4.907767 0.000000 0.000000\n0.000000 4.907767 0.000000\n-0.000000 0.000000 9.764062\nY Mg\n6 2\ndirect\n0.500000 0.500000 0.000000 Y\n0.500000 0.000000 0.250000 Y\n0.000000 0.500000 0.250000 Y\n0.000000 0.000000 0.500000 Y\n0.000000 0.500000 0.750000 Y\n0.500000 0.000000 0.750000 Y\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Y",
"Mg"
],
"chemical_system": "Mg-Y",
"density": 4.109673635443296,
"density_atomic": 0.03401665351204323,
"volume": 235.1789248512552,
"volume_molar": 17.703507365496513,
"formula_full": "Y6 Mg2",
"formula_reduced": "Y3Mg",
"formula_anonymous": "AB3",
"energy_above_hull": 2.100112821428571,
"spacegroup": 139
},
{
"id": "jvasp-110077",
"created_at": "2022-09-04T14:37:59.007172Z",
"updated_at": "2022-09-04T14:37:59.007192Z",
"structure_string": "Rb3 Tb1 F6\n1.0\n6.060573 0.131809 -3.315337\n-2.071098 5.697234 -3.315337\n-0.090212 -0.131809 6.907523\nTb Rb F\n1 3 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.750000 0.250000 0.499999 Rb\n0.249999 0.749999 0.499999 Rb\n0.499999 0.500000 -0.000001 Rb\n-0.000000 0.311212 0.311212 F\n-0.000000 0.688787 0.688786 F\n0.311213 -0.000000 0.311212 F\n0.688787 -0.000000 0.688787 F\n0.230580 0.230580 -0.000000 F\n0.769419 0.769420 -0.000001 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Tb",
"Rb",
"F"
],
"chemical_system": "F-Rb-Tb",
"density": 3.7374656285991406,
"density_atomic": 0.04252168713799159,
"volume": 235.17411168442,
"volume_molar": 14.162516036715383,
"formula_full": "Rb3 Tb1 F6",
"formula_reduced": "Rb3TbF6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-102795",
"created_at": "2022-09-04T14:36:57.440818Z",
"updated_at": "2022-09-04T14:36:57.440848Z",
"structure_string": "Ca1 Yb3 In2 Ge4\n1.0\n7.327123 -0.001048 0.000000\n-0.026732 7.327075 0.000000\n0.000000 0.000000 4.379875\nYb Ca In Ge\n3 1 2 4\ndirect\n0.174070 0.825929 -0.000000 Yb\n0.672721 0.673570 -0.000000 Yb\n0.326429 0.327279 -0.000000 Yb\n0.825294 0.174706 -0.000000 Ca\n0.500082 0.999717 0.500001 In\n0.000282 0.499918 0.500001 In\n0.376676 0.623324 0.500001 Ge\n0.620505 0.379494 0.500001 Ge\n0.124892 0.120952 0.500001 Ge\n0.879048 0.875107 0.500001 Ge\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Yb",
"Ca",
"In",
"Ge"
],
"chemical_system": "Ca-Ge-In-Yb",
"density": 7.622606284106008,
"density_atomic": 0.042527944399181866,
"volume": 235.1395098276223,
"volume_molar": 14.16043226419345,
"formula_full": "Ca1 Yb3 In2 Ge4",
"formula_reduced": "CaYb3(InGe2)2",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-43506",
"created_at": "2022-09-04T14:37:19.045607Z",
"updated_at": "2022-09-04T14:37:19.045627Z",
"structure_string": "Hf4 Mn4 O12\n1.0\n5.377833 -0.000000 0.000000\n-0.000000 5.551432 0.000000\n0.000000 0.000000 7.875894\nHf Mn O\n4 4 12\ndirect\n0.000000 0.500000 0.000000 Hf\n0.000000 0.500000 0.500000 Hf\n0.500000 0.000000 0.000000 Hf\n0.500000 0.000000 0.500000 Hf\n0.003188 0.961804 0.750000 Mn\n0.496812 0.461804 0.750000 Mn\n0.503187 0.538196 0.250000 Mn\n0.996812 0.038196 0.250000 Mn\n0.824843 0.819606 0.067064 O\n0.675156 0.319607 0.432936 O\n0.675156 0.319607 0.067064 O\n0.625304 0.066236 0.750000 O\n0.374695 0.933764 0.250000 O\n0.175157 0.180393 0.567064 O\n0.324843 0.680393 0.567064 O\n0.175157 0.180393 0.932935 O\n0.824843 0.819606 0.432936 O\n0.125304 0.433764 0.250000 O\n0.324843 0.680393 0.932935 O\n0.874695 0.566235 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Hf",
"Mn",
"O"
],
"chemical_system": "Hf-Mn-O",
"density": 7.949896711604414,
"density_atomic": 0.08505851513828715,
"volume": 235.13224945773192,
"volume_molar": 7.079997517249477,
"formula_full": "Hf4 Mn4 O12",
"formula_reduced": "HfMnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 3.052228148275862,
"spacegroup": 62
},
{
"id": "jvasp-116465",
"created_at": "2022-09-04T14:38:42.599378Z",
"updated_at": "2022-09-04T14:38:42.599406Z",
"structure_string": "Tb4 As4 Pd4\n1.0\n4.151027 0.000000 0.000000\n0.000000 7.098422 0.000000\n0.000000 0.000000 7.979121\nTb As Pd\n4 4 4\ndirect\n0.250000 0.530867 0.306845 Tb\n0.250000 0.030867 0.193155 Tb\n0.750001 0.469133 0.693155 Tb\n0.750001 0.969133 0.806845 Tb\n0.250000 0.247618 0.880641 As\n0.250000 0.747618 0.619358 As\n0.750001 0.752381 0.119358 As\n0.750001 0.252382 0.380642 As\n0.250000 0.644404 0.937068 Pd\n0.250000 0.144404 0.562932 Pd\n0.750001 0.355596 0.062932 Pd\n0.750001 0.855596 0.437068 Pd\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Tb",
"As",
"Pd"
],
"chemical_system": "As-Pd-Tb",
"density": 9.612944464484018,
"density_atomic": 0.051039783355266766,
"volume": 235.11071582089164,
"volume_molar": 11.79891520714807,
"formula_full": "Tb4 As4 Pd4",
"formula_reduced": "TbAsPd",
"formula_anonymous": "ABC",
"energy_above_hull": 1.202748616666667,
"spacegroup": 62
},
{
"id": "jvasp-19302",
"created_at": "2022-09-04T14:37:16.346309Z",
"updated_at": "2022-09-04T14:37:16.346336Z",
"structure_string": "Mn4 Zn6 O14\n1.0\n5.143257 0.000000 -0.000000\n0.000000 4.913722 -1.325397\n-0.000000 -0.117784 9.334493\nMn Zn O\n4 6 14\ndirect\n0.752170 0.351290 0.204095 Mn\n0.252170 0.648710 0.795905 Mn\n0.252170 0.852803 0.204094 Mn\n0.752170 0.147197 0.795905 Mn\n0.709313 0.750729 -0.000000 Zn\n0.209313 0.249270 -0.000000 Zn\n0.805825 0.563853 0.605226 Zn\n0.305825 0.436147 0.394773 Zn\n0.805825 0.958626 0.394773 Zn\n0.305825 0.041374 0.605226 Zn\n0.316103 0.633020 -0.000000 O\n0.816104 0.366980 -0.000000 O\n0.437028 0.144444 0.153404 O\n0.937029 0.855557 0.846595 O\n0.058678 0.565636 0.260946 O\n0.558678 0.434365 0.739054 O\n0.193594 0.061521 0.403463 O\n0.058678 0.304689 0.739054 O\n0.693594 0.341944 0.403463 O\n0.193594 0.658056 0.596536 O\n0.937029 0.008961 0.153404 O\n0.693594 0.938479 0.596536 O\n0.558678 0.695311 0.260945 O\n0.437028 0.991040 0.846595 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Mn",
"Zn",
"O"
],
"chemical_system": "Mn-O-Zn",
"density": 5.906078643326651,
"density_atomic": 0.1020827496825955,
"volume": 235.10338499524036,
"volume_molar": 5.899273656640872,
"formula_full": "Mn4 Zn6 O14",
"formula_reduced": "Mn2Zn3O7",
"formula_anonymous": "A2B3C7",
"energy_above_hull": 1.957221681896552,
"spacegroup": 36
},
{
"id": "jvasp-19386",
"created_at": "2022-09-04T14:38:34.826893Z",
"updated_at": "2022-09-04T14:38:34.826927Z",
"structure_string": "Ca4 Cr2 Sb2 O12\n1.0\n0.000000 5.410187 -0.002422\n7.802909 0.000000 0.000000\n0.000000 -0.004194 -5.568948\nCa Cr Sb O\n4 2 2 12\ndirect\n0.484071 0.250000 0.567060 Ca\n0.515930 0.750000 0.432940 Ca\n0.007338 0.250000 0.042613 Ca\n0.992664 0.750000 0.957387 Ca\n0.500000 0.500000 -0.000000 Cr\n0.500000 0.000000 -0.000000 Cr\n0.000000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n0.297793 0.451273 0.299790 O\n0.588354 0.250000 0.972853 O\n0.702209 0.951273 0.700210 O\n0.098654 0.750000 0.530292 O\n0.198262 0.049248 0.794474 O\n0.801739 0.950752 0.205526 O\n0.198262 0.450752 0.794474 O\n0.297793 0.048727 0.299790 O\n0.901347 0.250000 0.469708 O\n0.702209 0.548727 0.700210 O\n0.801739 0.549248 0.205526 O\n0.411647 0.750000 0.027147 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ca",
"Cr",
"Sb",
"O"
],
"chemical_system": "Ca-Cr-O-Sb",
"density": 4.9430096461020865,
"density_atomic": 0.08507223996316628,
"volume": 235.09431523913557,
"volume_molar": 7.078855291229437,
"formula_full": "Ca4 Cr2 Sb2 O12",
"formula_reduced": "Ca2CrSbO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.147985534,
"spacegroup": 11
}
]
}