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_molar&page=3560",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=3558",
"results": [
{
"id": "jvasp-122489",
"created_at": "2022-09-04T14:38:50.625067Z",
"updated_at": "2022-09-04T14:38:50.625095Z",
"structure_string": "Ca3 Ru4 O14\n1.0\n6.264325 0.000000 3.616710\n-4.176216 5.849002 0.000000\n-0.000000 -0.000000 7.233419\nCa Ru O\n3 4 14\ndirect\n0.499999 0.500000 0.500000 Ca\n-0.000000 0.500000 0.000000 Ca\n-0.000000 0.500000 0.500000 Ca\n0.499999 0.500000 0.000000 Ru\n0.500000 -0.000000 0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n0.754645 0.068188 0.686458 O\n0.748709 0.679039 0.069672 O\n0.748709 0.679039 0.681620 O\n0.754645 0.068188 0.058898 O\n0.360657 0.679039 0.069671 O\n0.127085 0.068188 0.686458 O\n0.251290 0.320961 0.318381 O\n0.251290 0.320961 0.930329 O\n0.762754 0.394132 0.368623 O\n0.245354 0.931812 0.941103 O\n0.639341 0.320961 0.930330 O\n0.872914 0.931812 0.313543 O\n0.245354 0.931812 0.313543 O\n0.237244 0.605867 0.631378 O\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Ca",
"Ru",
"O"
],
"chemical_system": "Ca-O-Ru",
"density": 4.689693691670044,
"density_atomic": 0.07923546682722192,
"volume": 265.03282987897154,
"volume_molar": 7.600309559772859,
"formula_full": "Ca3 Ru4 O14",
"formula_reduced": "Ca3(Ru2O7)2",
"formula_anonymous": "A3B4C14",
"energy_above_hull": 2.966309631428572,
"spacegroup": 166
},
{
"id": "jvasp-56531",
"created_at": "2022-09-04T14:37:33.324900Z",
"updated_at": "2022-09-04T14:37:33.324923Z",
"structure_string": "Li2 Ga1 Ir1\n1.0\n3.592641 -0.000000 2.074213\n1.197547 3.387175 2.074213\n-0.000000 0.000000 4.148426\nLi Ga Ir\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.750001 0.749999 0.750000 Li\n0.000000 0.000000 0.000000 Ga\n0.500000 0.499999 0.500000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ga",
"Ir"
],
"chemical_system": "Ga-Ir-Li",
"density": 9.072838828993115,
"density_atomic": 0.07923648228186556,
"volume": 50.48179682902783,
"volume_molar": 7.60021215805318,
"formula_full": "Li2 Ga1 Ir1",
"formula_reduced": "Li2GaIr",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3250333562499996,
"spacegroup": 225
},
{
"id": "jvasp-91467",
"created_at": "2022-09-04T14:35:44.280031Z",
"updated_at": "2022-09-04T14:35:44.280066Z",
"structure_string": "Mn4 P8 O24\n1.0\n6.924766 0.038071 -2.471123\n-3.046161 6.589846 -1.164098\n0.019712 -0.012055 9.927980\nMn P O\n4 8 24\ndirect\n0.500001 0.500001 0.500000 Mn\n0.500000 -0.000000 0.000000 Mn\n0.294392 0.544392 0.750000 Mn\n0.705609 0.455609 0.250000 Mn\n0.768192 0.220190 0.520173 P\n0.799984 0.751983 0.020173 P\n0.231809 0.779812 0.479827 P\n0.200017 0.248019 0.979828 P\n0.498394 0.810224 0.300898 P\n0.990675 0.802505 0.800898 P\n0.501607 0.189777 0.699102 P\n0.009326 0.197496 0.199102 P\n0.470893 0.380457 0.683587 O\n0.242436 0.413026 0.910997 O\n0.002027 0.331438 0.589003 O\n0.384693 0.214063 0.080612 O\n0.633451 0.304080 0.419388 O\n0.615308 0.785938 0.919388 O\n0.366550 0.695921 0.580613 O\n0.803131 0.212694 0.183587 O\n0.529108 0.619544 0.316414 O\n0.196870 0.787307 0.816414 O\n0.193157 0.298561 0.346992 O\n0.938410 0.720218 0.930732 O\n0.806844 0.701440 0.653009 O\n0.548431 0.153835 0.846992 O\n0.061591 0.279783 0.069268 O\n0.710515 0.992323 0.430732 O\n0.997974 0.668563 0.410998 O\n0.289486 0.007678 0.569269 O\n0.966618 0.962466 0.150985 O\n0.311483 0.815633 0.349016 O\n0.033383 0.037535 0.849016 O\n0.688518 0.184369 0.650985 O\n0.451570 0.846166 0.153009 O\n0.757565 0.586975 0.089003 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Mn",
"P",
"O"
],
"chemical_system": "Mn-O-P",
"density": 3.1122753560356484,
"density_atomic": 0.07923782523809021,
"volume": 454.32847117937473,
"volume_molar": 7.600083346438327,
"formula_full": "Mn4 P8 O24",
"formula_reduced": "Mn(PO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.008293249042146,
"spacegroup": 15
},
{
"id": "jvasp-87859",
"created_at": "2022-09-04T14:35:40.845385Z",
"updated_at": "2022-09-04T14:35:40.845395Z",
"structure_string": "Ba12 Al8 Si12 O48\n1.0\n10.320051 0.000000 -3.648689\n-5.160026 8.937427 -3.648689\n-0.000000 0.000000 10.946068\nBa Al Si O\n12 8 12 48\ndirect\n0.250000 0.375000 0.125000 Ba\n0.250000 0.875000 0.625000 Ba\n0.875000 0.625000 0.250000 Ba\n0.625000 0.875000 0.750000 Ba\n0.875000 0.750000 0.625000 Ba\n0.625000 0.250000 0.875000 Ba\n0.375000 0.750000 0.125000 Ba\n0.750000 0.125000 0.375000 Ba\n0.125000 0.375000 0.750000 Ba\n0.375000 0.125000 0.250000 Ba\n0.125000 0.250000 0.375000 Ba\n0.750000 0.625000 0.875000 Ba\n-0.000000 0.500000 0.500000 Al\n0.500000 -0.000000 0.500000 Al\n0.500000 0.500000 0.500000 Al\n0.500000 -0.000000 -0.000000 Al\n0.000000 0.000000 0.500000 Al\n-0.000000 0.500000 -0.000000 Al\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 -0.000000 Al\n0.625000 0.750000 0.375000 Si\n0.250000 0.125000 0.875000 Si\n0.750000 0.875000 0.125000 Si\n0.375000 0.250000 0.625000 Si\n0.625000 0.375000 0.250000 Si\n0.875000 0.250000 0.125000 Si\n0.875000 0.125000 0.750000 Si\n0.750000 0.375000 0.625000 Si\n0.125000 0.875000 0.250000 Si\n0.375000 0.625000 0.750000 Si\n0.125000 0.750000 0.875000 Si\n0.250000 0.625000 0.375000 Si\n0.195091 0.184532 0.582450 O\n0.315468 0.510560 0.397918 O\n0.989440 0.304909 0.887358 O\n0.102082 0.612642 0.917550 O\n0.184532 0.582451 0.195091 O\n0.184532 0.102082 0.989441 O\n0.582450 0.195091 0.184532 O\n0.612642 0.195091 0.510559 O\n0.684532 0.695091 0.082450 O\n0.917549 0.315468 0.304909 O\n0.804909 0.815469 0.417550 O\n0.112642 0.602083 0.417550 O\n0.695091 0.082450 0.684532 O\n0.082450 0.684532 0.695091 O\n0.010559 0.815469 0.897918 O\n0.804909 0.489441 0.387358 O\n0.417550 0.112642 0.602082 O\n0.387358 0.804909 0.489441 O\n0.897918 0.010559 0.815468 O\n0.602082 0.417550 0.112642 O\n0.112642 0.010559 0.695091 O\n0.387358 0.082450 0.897918 O\n0.082450 0.897918 0.387358 O\n0.489440 0.602083 0.684532 O\n0.602082 0.684532 0.489441 O\n0.695091 0.112642 0.010559 O\n0.489441 0.387358 0.804909 O\n0.304909 0.917550 0.315468 O\n0.417549 0.804909 0.815468 O\n0.815468 0.417550 0.804909 O\n0.989441 0.184532 0.102082 O\n0.195091 0.510560 0.612642 O\n0.582450 0.887359 0.397918 O\n0.102082 0.989441 0.184532 O\n0.510559 0.612642 0.195091 O\n0.397917 0.582451 0.887358 O\n0.887358 0.989441 0.304909 O\n0.815468 0.897918 0.010559 O\n0.612641 0.917550 0.102082 O\n0.510559 0.397918 0.315468 O\n0.397917 0.315468 0.510559 O\n0.304909 0.887359 0.989441 O\n0.315468 0.304909 0.917550 O\n0.684532 0.489441 0.602082 O\n0.010559 0.695091 0.112642 O\n0.897917 0.387358 0.082450 O\n0.917550 0.102082 0.612642 O\n0.887358 0.397918 0.582450 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Ba",
"Al",
"Si",
"O"
],
"chemical_system": "Al-Ba-O-Si",
"density": 4.8828532334835755,
"density_atomic": 0.07923872779235858,
"volume": 1009.6073249640795,
"volume_molar": 7.599996779075935,
"formula_full": "Ba12 Al8 Si12 O48",
"formula_reduced": "Ba3Al2(SiO4)3",
"formula_anonymous": "A2B3C3D12",
"energy_above_hull": 2.4411030655,
"spacegroup": 230
},
{
"id": "jvasp-57256",
"created_at": "2022-09-04T14:37:17.058520Z",
"updated_at": "2022-09-04T14:37:17.058544Z",
"structure_string": "K4 Li4 C4 O12\n1.0\n0.000000 6.469328 -0.091322\n7.066934 0.000000 0.000000\n0.000000 -3.625016 -6.573341\nK Li C O\n4 4 4 12\ndirect\n0.176683 0.644168 0.340158 K\n0.823317 0.144169 0.159842 K\n0.823316 0.355831 0.659842 K\n0.176683 0.855831 0.840158 K\n0.397166 0.432105 0.794831 Li\n0.602834 0.567894 0.205169 Li\n0.602833 0.932105 0.705169 Li\n0.397166 0.067895 0.294831 Li\n0.709683 0.834049 0.417294 C\n0.290316 0.165950 0.582706 C\n0.290317 0.334049 0.082706 C\n0.709683 0.665950 0.917294 C\n0.746835 0.979921 0.533671 O\n0.475456 0.336104 0.262449 O\n0.524543 0.663895 0.737551 O\n0.253164 0.479922 0.966329 O\n0.475456 0.163896 0.762449 O\n0.524543 0.836104 0.237551 O\n0.156171 0.312173 0.528884 O\n0.156171 0.187827 0.028884 O\n0.253165 0.020078 0.466329 O\n0.746835 0.520078 0.033671 O\n0.843828 0.812173 0.971115 O\n0.843828 0.687827 0.471115 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"K",
"Li",
"C",
"O"
],
"chemical_system": "C-K-Li-O",
"density": 2.3257780930056327,
"density_atomic": 0.07924413459603004,
"volume": 302.86153192721406,
"volume_molar": 7.599478233562156,
"formula_full": "K4 Li4 C4 O12",
"formula_reduced": "KLiCO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 2.07999475,
"spacegroup": 14
},
{
"id": "jvasp-22440",
"created_at": "2022-09-04T14:37:49.735078Z",
"updated_at": "2022-09-04T14:37:49.735097Z",
"structure_string": "Sr4 Be4 F16\n1.0\n0.000000 5.383236 0.025358\n8.236757 0.000000 0.000000\n0.000000 -5.218972 -6.854755\nSr Be F\n4 4 16\ndirect\n0.031446 0.308031 0.331052 Sr\n0.968555 0.808031 0.168948 Sr\n0.968555 0.691969 0.668948 Sr\n0.031447 0.191969 0.831053 Sr\n0.431377 0.953590 0.683628 Be\n0.568625 0.453590 0.816373 Be\n0.568625 0.046410 0.316373 Be\n0.431376 0.546411 0.183628 Be\n0.299625 0.542718 0.303760 F\n0.700376 0.042718 0.196240 F\n0.760672 0.317421 0.970913 F\n0.239330 0.817421 0.529088 F\n0.239330 0.682579 0.029087 F\n0.760671 0.182579 0.470913 F\n0.410357 0.123469 0.597951 F\n0.208163 0.411965 0.678512 F\n0.589644 0.876531 0.402050 F\n0.410357 0.376531 0.097950 F\n0.299625 0.957283 0.803760 F\n0.791839 0.911965 0.821489 F\n0.791838 0.588035 0.321489 F\n0.208163 0.088035 0.178511 F\n0.589645 0.623470 0.902050 F\n0.700377 0.457282 0.696241 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Sr",
"Be",
"F"
],
"chemical_system": "Be-F-Sr",
"density": 3.786025583010057,
"density_atomic": 0.07924648462696658,
"volume": 302.85255065854494,
"volume_molar": 7.599252873294951,
"formula_full": "Sr4 Be4 F16",
"formula_reduced": "SrBeF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 14
},
{
"id": "jvasp-8782",
"created_at": "2022-09-04T14:36:30.736890Z",
"updated_at": "2022-09-04T14:36:30.736904Z",
"structure_string": "Sr1 Ru2 O6\n1.0\n5.433961 0.000681 0.005421\n-2.715939 4.706550 -0.005421\n-2.712299 -1.572207 4.438419\nSr Ru O\n1 2 6\ndirect\n-0.001123 0.750000 0.748878 Sr\n0.497984 0.000118 0.498103 Ru\n0.497984 0.499881 0.997868 Ru\n0.997838 0.267215 0.767806 O\n0.500589 0.769967 0.767806 O\n0.457202 0.250000 0.707202 O\n0.532092 0.750000 0.282093 O\n0.500589 0.232784 0.230622 O\n0.997838 0.730032 0.230622 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Sr",
"Ru",
"O"
],
"chemical_system": "O-Ru-Sr",
"density": 5.640365092267772,
"density_atomic": 0.07924784989088629,
"volume": 113.5677499439013,
"volume_molar": 7.599121955096175,
"formula_full": "Sr1 Ru2 O6",
"formula_reduced": "Sr(RuO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.841788701111112,
"spacegroup": 44
},
{
"id": "jvasp-21390",
"created_at": "2022-09-04T14:37:30.880201Z",
"updated_at": "2022-09-04T14:37:30.880228Z",
"structure_string": "Mg4 Al4 P4 O20\n1.0\n0.000000 5.475246 0.002025\n10.410175 0.000000 0.000000\n0.000000 -1.061671 -7.084746\nMg Al P O\n4 4 4 20\ndirect\n0.884885 0.858221 0.984623 Mg\n0.615116 0.358221 0.015377 Mg\n0.115115 0.141779 0.015377 Mg\n0.384885 0.641779 0.984623 Mg\n0.441461 0.825668 0.639806 Al\n0.058540 0.325668 0.360194 Al\n0.558540 0.174332 0.360194 Al\n0.941461 0.674332 0.639806 Al\n0.934246 0.598544 0.218497 P\n0.565755 0.098544 0.781503 P\n0.434246 0.901455 0.218497 P\n0.065755 0.401456 0.781503 P\n0.609896 0.014393 0.285144 O\n0.118016 0.323384 0.609200 O\n0.381985 0.823384 0.390800 O\n0.245482 0.717793 0.731330 O\n0.254519 0.217793 0.268670 O\n0.754519 0.282207 0.268669 O\n0.745482 0.782207 0.731330 O\n0.890105 0.514393 0.714855 O\n0.109896 0.485606 0.285144 O\n0.810662 0.045552 0.889964 O\n0.561274 0.814971 0.085590 O\n0.938727 0.314971 0.914410 O\n0.438727 0.185029 0.914410 O\n0.061274 0.685028 0.085590 O\n0.618016 0.176616 0.609200 O\n0.689339 0.545551 0.110036 O\n0.189338 0.954448 0.110036 O\n0.310662 0.454448 0.889964 O\n0.390104 0.985606 0.714856 O\n0.881985 0.676615 0.390800 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Mg",
"Al",
"P",
"O"
],
"chemical_system": "Al-Mg-O-P",
"density": 2.669017702018968,
"density_atomic": 0.07924796105251866,
"volume": 403.7958778370737,
"volume_molar": 7.5991112957581946,
"formula_full": "Mg4 Al4 P4 O20",
"formula_reduced": "MgAlPO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 1.94739935625,
"spacegroup": 14
},
{
"id": "jvasp-21005",
"created_at": "2022-09-04T14:38:15.176046Z",
"updated_at": "2022-09-04T14:38:15.176066Z",
"structure_string": "Pr4 P4 O16\n1.0\n0.000000 6.487058 0.027544\n7.042711 0.000000 0.000000\n0.000000 -4.867202 -6.649205\nPr P O\n4 4 16\ndirect\n0.180623 0.657780 0.781004 Pr\n0.819377 0.157780 0.718996 Pr\n0.819377 0.342220 0.218996 Pr\n0.180624 0.842220 0.281004 Pr\n0.689266 0.662373 0.802727 P\n0.310734 0.162373 0.697273 P\n0.310735 0.337627 0.197273 P\n0.689266 0.837627 0.302727 P\n0.119041 0.167649 0.119221 O\n0.880960 0.667649 0.380779 O\n0.806510 0.505436 0.749150 O\n0.193490 0.005436 0.750849 O\n0.193490 0.494564 0.250850 O\n0.806511 0.994564 0.249150 O\n0.665528 0.894465 0.472793 O\n0.412466 0.787665 0.124671 O\n0.334472 0.105535 0.527207 O\n0.665528 0.605535 0.972792 O\n0.119040 0.332350 0.619220 O\n0.587534 0.287665 0.375329 O\n0.587534 0.212335 0.875328 O\n0.412466 0.712334 0.624671 O\n0.334473 0.394465 0.027207 O\n0.880960 0.832350 0.880779 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Pr",
"P",
"O"
],
"chemical_system": "O-P-Pr",
"density": 5.173600995178717,
"density_atomic": 0.07925118858767108,
"volume": 302.83457482092103,
"volume_molar": 7.598801819026409,
"formula_full": "Pr4 P4 O16",
"formula_reduced": "PrPO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.1193932250000005,
"spacegroup": 14
},
{
"id": "jvasp-9682",
"created_at": "2022-09-04T14:38:16.423110Z",
"updated_at": "2022-09-04T14:38:16.423135Z",
"structure_string": "Na4 S2 O8\n1.0\n5.557282 0.016562 -1.262728\n-3.041901 4.650858 -1.262728\n-0.001278 -0.002371 6.822791\nNa S O\n4 2 8\ndirect\n0.558551 0.441449 0.250000 Na\n0.191449 0.808552 0.250000 Na\n0.808551 0.191448 0.749999 Na\n0.441448 0.558552 0.750000 Na\n0.875000 0.125000 0.250000 S\n0.125000 0.875000 0.750000 S\n0.249566 0.179418 0.886381 O\n0.293037 0.863185 0.613618 O\n0.820582 0.750434 0.613618 O\n0.136815 0.706964 0.886381 O\n0.750434 0.820582 0.113618 O\n0.706963 0.136815 0.386381 O\n0.863185 0.293036 0.113618 O\n0.179418 0.249566 0.386381 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Na",
"S",
"O"
],
"chemical_system": "Na-O-S",
"density": 2.6703898595659683,
"density_atomic": 0.07925130282379644,
"volume": 176.6532473431627,
"volume_molar": 7.598790865797299,
"formula_full": "Na4 S2 O8",
"formula_reduced": "Na2SO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.3757259999999998,
"spacegroup": 70
},
{
"id": "jvasp-103408",
"created_at": "2022-09-04T14:36:38.095936Z",
"updated_at": "2022-09-04T14:36:38.095963Z",
"structure_string": "Ti2 N2 F2\n1.0\n3.659029 -0.005800 -4.361605\n-0.488972 3.626215 -4.361605\n0.005078 0.005800 5.693160\nTi N F\n2 2 2\ndirect\n0.598043 0.098042 0.500000 Ti\n0.848043 0.848041 -0.000002 Ti\n0.666649 0.666647 -0.000001 N\n0.416649 0.916647 0.499999 N\n0.860310 0.360309 0.499999 F\n0.110310 0.110309 -0.000000 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ti",
"N",
"F"
],
"chemical_system": "F-N-Ti",
"density": 3.5475880401366537,
"density_atomic": 0.0792513377230126,
"volume": 75.70850123653813,
"volume_molar": 7.5987875195844445,
"formula_full": "Ti2 N2 F2",
"formula_reduced": "TiNF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.865720621944444,
"spacegroup": 109
},
{
"id": "jvasp-42397",
"created_at": "2022-09-04T14:37:29.581515Z",
"updated_at": "2022-09-04T14:37:29.581547Z",
"structure_string": "Na2 Co4 O6\n1.0\n5.016849 2.906880 0.000000\n-5.016849 2.906880 0.000000\n0.000000 0.000000 5.191404\nNa Co O\n2 4 6\ndirect\n0.323014 0.323014 0.999485 Na\n0.676986 0.676986 0.499485 Na\n0.333078 0.994015 0.518715 Co\n0.005985 0.666922 0.018715 Co\n0.994015 0.333078 0.518715 Co\n0.666922 0.005985 0.018715 Co\n0.061558 0.665257 0.382229 O\n0.334743 0.938442 0.882229 O\n0.283599 0.283599 0.459524 O\n0.716401 0.716401 0.959523 O\n0.665257 0.061558 0.382229 O\n0.938442 0.334743 0.882229 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Na",
"Co",
"O"
],
"chemical_system": "Co-Na-O",
"density": 4.142219898482362,
"density_atomic": 0.07925164573777214,
"volume": 151.41641398470892,
"volume_molar": 7.598757986586247,
"formula_full": "Na2 Co4 O6",
"formula_reduced": "NaCo2O3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.233465216666666,
"spacegroup": 36
}
]
}