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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4536",
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"results": [
{
"id": "jvasp-29793",
"created_at": "2022-09-04T14:37:12.042571Z",
"updated_at": "2022-09-04T14:37:12.042596Z",
"structure_string": "Al2 H6 O6\n1.0\n4.755389 0.079707 1.186641\n2.084778 4.343468 2.021993\n-0.294683 0.463509 5.243466\nAl H O\n2 6 6\ndirect\n0.657721 0.679140 0.000942 Al\n0.342279 0.320862 -0.000943 Al\n0.617678 0.176335 0.579422 H\n0.382323 0.823666 0.420578 H\n-0.053651 0.379125 0.689676 H\n0.053652 0.620876 0.310324 H\n0.131306 0.897982 0.771107 H\n0.868695 0.102020 0.228892 H\n0.640448 0.095107 0.788365 O\n0.359553 0.904895 0.211634 O\n-0.018931 0.491530 0.777035 O\n0.018931 0.508470 0.222964 O\n0.350326 0.732258 0.780653 O\n0.649675 0.267744 0.219346 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
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"H",
"O"
],
"chemical_system": "Al-H-O",
"density": 2.4533424633346943,
"density_atomic": 0.1325844838603897,
"volume": 105.59304974737373,
"volume_molar": 4.542115777545479,
"formula_full": "Al2 H6 O6",
"formula_reduced": "Al(HO)3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 2.448930471428572,
"spacegroup": 2
},
{
"id": "jvasp-29795",
"created_at": "2022-09-04T14:37:12.079464Z",
"updated_at": "2022-09-04T14:37:12.079485Z",
"structure_string": "Al2 H6 O6\n1.0\n4.480857 -0.251292 2.333066\n2.013517 4.207476 2.324936\n0.786087 0.055769 5.782015\nAl H O\n2 6 6\ndirect\n0.667710 0.668325 0.992005 Al\n0.339808 0.321333 0.005586 Al\n0.816650 0.173579 0.567227 H\n0.190806 0.816084 0.430353 H\n0.213989 0.369364 0.610882 H\n0.793549 0.620277 0.386713 H\n0.297800 0.876016 0.743873 H\n0.709814 0.113645 0.253618 H\n0.746665 0.068217 0.778865 O\n0.260835 0.921444 0.218711 O\n0.116545 0.451860 0.772218 O\n0.890983 0.537811 0.225362 O\n0.493142 0.693298 0.763479 O\n0.514416 0.296339 0.234089 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Al",
"H",
"O"
],
"chemical_system": "Al-H-O",
"density": 2.50441376269891,
"density_atomic": 0.13534449880631788,
"volume": 103.43974172185918,
"volume_molar": 4.44949060590772,
"formula_full": "Al2 H6 O6",
"formula_reduced": "Al(HO)3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 2.449383328571429,
"spacegroup": 2
},
{
"id": "jvasp-9252",
"created_at": "2022-09-04T14:38:11.641024Z",
"updated_at": "2022-09-04T14:38:11.641055Z",
"structure_string": "Mg4 Sn4 O8\n1.0\n3.323118 0.001056 -0.125259\n0.350445 8.353781 -0.233796\n0.320090 2.749427 8.909850\nMg Sn O\n4 4 8\ndirect\n0.247237 0.350941 0.006380 Mg\n0.728523 0.677267 0.973535 Mg\n0.673808 0.123064 0.778702 Mg\n0.301967 0.905133 0.201222 Mg\n0.069844 0.579325 0.291238 Sn\n0.768230 0.204920 0.314712 Sn\n0.207537 0.823286 0.665200 Sn\n0.905914 0.448877 0.688679 Sn\n0.200181 0.588104 0.843632 O\n0.805117 0.810497 0.305328 O\n0.170655 0.217704 0.674595 O\n0.775582 0.440104 0.136281 O\n0.232615 0.741375 0.080801 O\n0.277652 0.143982 0.186340 O\n0.743144 0.286830 0.899116 O\n0.698114 0.884221 0.793572 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Sn",
"O"
],
"chemical_system": "Mg-O-Sn",
"density": 4.655653316855674,
"density_atomic": 0.06407951741760878,
"volume": 249.6897705350582,
"volume_molar": 9.397918403088882,
"formula_full": "Mg4 Sn4 O8",
"formula_reduced": "MgSnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5957594374999999,
"spacegroup": 2
},
{
"id": "jvasp-30197",
"created_at": "2022-09-04T14:38:11.653906Z",
"updated_at": "2022-09-04T14:38:11.653935Z",
"structure_string": "Bi2 Sb2 O6\n1.0\n-2.974190 2.815535 5.599701\n0.038510 3.064815 -4.729329\n-2.904822 -2.054346 -4.980061\nBi Sb O\n2 2 6\ndirect\n0.878775 0.127487 0.606482 Bi\n0.121225 0.872512 0.393519 Bi\n0.617785 0.351026 0.917677 Sb\n0.382214 0.648975 0.082323 Sb\n0.047339 0.771783 0.740182 O\n0.504003 0.980984 0.796241 O\n0.248079 0.455816 0.750824 O\n0.751918 0.544183 0.249175 O\n0.495996 0.019015 0.203761 O\n0.952660 0.228216 0.259818 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Bi",
"Sb",
"O"
],
"chemical_system": "Bi-O-Sb",
"density": 7.720464598910233,
"density_atomic": 0.06137970167722752,
"volume": 162.92030959332766,
"volume_molar": 9.811290370337973,
"formula_full": "Bi2 Sb2 O6",
"formula_reduced": "BiSbO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.80393618,
"spacegroup": 2
},
{
"id": "jvasp-43075",
"created_at": "2022-09-04T14:38:11.768463Z",
"updated_at": "2022-09-04T14:38:11.768488Z",
"structure_string": "Ti2 Al2 O6\n1.0\n4.930960 -0.016919 -0.041819\n2.450026 4.261773 -0.006871\n2.417242 1.429719 4.603397\nTi Al O\n2 2 6\ndirect\n0.642855 0.642898 0.054875 Ti\n0.357145 0.357101 0.945126 Ti\n0.847733 0.849019 0.454948 Al\n0.152267 0.150980 0.545053 Al\n0.945614 0.229278 0.262041 O\n0.556491 0.947214 0.265339 O\n0.224260 0.561893 0.268430 O\n0.775741 0.438106 0.731570 O\n0.443509 0.052785 0.734662 O\n0.054386 0.770721 0.737959 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ti",
"Al",
"O"
],
"chemical_system": "Al-O-Ti",
"density": 4.194662619595685,
"density_atomic": 0.10281448670321135,
"volume": 97.26255823137477,
"volume_molar": 5.857288163470356,
"formula_full": "Ti2 Al2 O6",
"formula_reduced": "TiAlO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.083836326666667,
"spacegroup": 2
},
{
"id": "jvasp-10698",
"created_at": "2022-09-04T14:37:12.323584Z",
"updated_at": "2022-09-04T14:37:12.323610Z",
"structure_string": "Sm3 Au1 O6\n1.0\n3.734560 0.000139 -0.010048\n-0.110647 5.658332 -0.001208\n-1.587350 -0.106496 6.932245\nSm Au O\n3 1 6\ndirect\n0.610639 0.528798 0.766370 Sm\n0.389360 0.471202 0.233630 Sm\n0.000000 -0.000000 0.500000 Sm\n0.000000 0.000000 0.000000 Au\n0.843008 0.697606 0.115561 O\n0.156991 0.302393 0.884439 O\n0.517230 0.255685 0.521638 O\n0.482769 0.744314 0.478362 O\n0.130274 0.792720 0.794532 O\n0.869725 0.207280 0.205468 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sm",
"Au",
"O"
],
"chemical_system": "Au-O-Sm",
"density": 8.439455884752613,
"density_atomic": 0.06830733359615165,
"volume": 146.39716518759542,
"volume_molar": 8.816243356246714,
"formula_full": "Sm3 Au1 O6",
"formula_reduced": "Sm3AuO6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 2.0440245195,
"spacegroup": 2
},
{
"id": "jvasp-102311",
"created_at": "2022-09-04T14:37:12.537894Z",
"updated_at": "2022-09-04T14:37:12.537922Z",
"structure_string": "C2 S2 N6\n1.0\n5.407152 0.052340 1.704513\n0.808639 5.407389 1.042927\n0.692336 0.205407 6.634151\nC S N\n2 2 6\ndirect\n0.437738 0.285171 0.132755 C\n0.562263 0.714830 0.867245 C\n0.643198 0.348907 0.214761 S\n0.356803 0.651094 0.785238 S\n0.889964 0.208590 0.634584 N\n0.110037 0.791411 0.365415 N\n-0.045225 0.756127 0.318123 N\n0.045226 0.243873 0.681877 N\n0.294439 0.288445 0.038955 N\n0.705561 0.711556 -0.038955 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"C",
"S",
"N"
],
"chemical_system": "C-N-S",
"density": 1.5333579787928322,
"density_atomic": 0.05362687603199365,
"volume": 186.47366283342754,
"volume_molar": 11.22970645615681,
"formula_full": "C2 S2 N6",
"formula_reduced": "CSN3",
"formula_anonymous": "ABC3",
"energy_above_hull": 5.06011595,
"spacegroup": 2
},
{
"id": "jvasp-48630",
"created_at": "2022-09-04T14:37:12.538348Z",
"updated_at": "2022-09-04T14:37:12.538377Z",
"structure_string": "Li4 Mn6 O2 F12\n1.0\n5.881925 -0.134997 -0.091293\n0.735741 6.563528 -0.021536\n2.411063 2.670090 7.231839\nLi Mn O F\n4 6 2 12\ndirect\n0.290293 0.876816 0.484904 Li\n0.094575 0.314757 0.085222 Li\n0.905425 0.685243 0.914778 Li\n0.709707 0.123183 0.515096 Li\n0.744429 0.548872 0.655662 Mn\n0.897854 0.812437 0.225489 Mn\n0.379493 0.754760 0.937685 Mn\n0.620507 0.245240 0.062315 Mn\n0.102146 0.187563 0.774511 Mn\n0.255571 0.451128 0.344338 Mn\n0.091033 0.588741 0.133846 O\n0.908967 0.411258 0.866154 O\n0.579179 0.558169 0.129988 F\n0.080409 0.708766 0.448594 F\n0.420821 0.441830 0.870012 F\n0.583171 0.724037 0.443115 F\n0.767473 0.968304 0.989268 F\n0.172839 0.877753 0.732736 F\n0.317886 0.152363 0.282839 F\n0.682114 0.847637 0.717161 F\n0.827161 0.122247 0.267264 F\n0.232527 0.031696 0.010732 F\n0.416829 0.275963 0.556885 F\n0.919592 0.291234 0.551406 F\n",
"nsites": 24,
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"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.641520322437781,
"density_atomic": 0.08525071259507028,
"volume": 281.5225734709909,
"volume_molar": 7.06403568566562,
"formula_full": "Li4 Mn6 O2 F12",
"formula_reduced": "Li2Mn3OF6",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 1.3885030765948274,
"spacegroup": 2
},
{
"id": "jvasp-50661",
"created_at": "2022-09-04T14:37:12.684067Z",
"updated_at": "2022-09-04T14:37:12.684087Z",
"structure_string": "Li2 Ag3 F6\n1.0\n-3.196908 -0.061365 -0.003387\n-0.076713 -4.749110 -0.015794\n1.121589 1.717904 9.120868\nLi Ag F\n2 3 6\ndirect\n0.227838 0.398971 0.796251 Li\n0.772170 0.601026 0.203749 Li\n-0.000006 0.000006 0.000002 Ag\n0.369881 0.214601 0.401964 Ag\n0.630129 0.785401 0.598031 Ag\n0.726425 0.203672 0.210021 F\n0.031767 0.270004 0.599265 F\n0.760960 0.321043 0.880667 F\n0.239033 0.678950 0.119335 F\n0.968223 0.729997 0.400736 F\n0.273576 0.796329 0.789981 F\n",
"nsites": 11,
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"elements": [
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],
"chemical_system": "Ag-F-Li",
"density": 5.419571077554935,
"density_atomic": 0.07951935616273212,
"volume": 138.33109988326726,
"volume_molar": 7.573175954387772,
"formula_full": "Li2 Ag3 F6",
"formula_reduced": "Li2Ag3F6",
"formula_anonymous": "A2B3C6",
"energy_above_hull": 0.2069232229090909,
"spacegroup": 2
},
{
"id": "jvasp-34189",
"created_at": "2022-09-04T14:37:13.083052Z",
"updated_at": "2022-09-04T14:37:13.083068Z",
"structure_string": "Ti9 O10\n1.0\n4.440107 -0.028589 -0.001970\n-2.045836 5.119285 0.013460\n-0.080730 -1.533027 8.849803\nTi O\n9 10\ndirect\n0.292913 0.964909 0.398012 Ti\n0.864453 0.289590 0.228941 Ti\n0.135547 0.710410 0.771058 Ti\n0.707087 0.035091 0.601988 Ti\n0.500000 0.500000 0.500000 Ti\n0.771595 0.016303 0.911270 Ti\n0.432215 0.344870 0.839062 Ti\n0.567785 0.655130 0.160938 Ti\n0.228405 0.983697 0.088730 Ti\n0.383467 0.703161 0.958315 O\n0.713290 0.724548 0.715740 O\n0.242206 0.723029 0.558376 O\n0.901172 0.321930 0.792122 O\n0.286710 0.275452 0.284260 O\n0.757794 0.276972 0.441624 O\n0.714145 0.811535 0.391128 O\n0.616533 0.296839 0.041684 O\n0.285855 0.188465 0.608872 O\n0.098827 0.678070 0.207877 O\n",
"nsites": 19,
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"density": 4.887500040019882,
"density_atomic": 0.09465705667054168,
"volume": 200.72460171807782,
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"formula_full": "Ti9 O10",
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"formula_anonymous": "A9B10",
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"spacegroup": 2
},
{
"id": "jvasp-10545",
"created_at": "2022-09-04T14:37:13.117004Z",
"updated_at": "2022-09-04T14:37:13.117032Z",
"structure_string": "K4 Ge2 Se6\n1.0\n6.805341 -0.027681 -0.011089\n2.912238 6.790467 0.084532\n2.477297 1.305792 8.112244\nK Ge Se\n4 2 6\ndirect\n0.392323 0.796592 0.887834 K\n0.607678 0.203408 0.112166 K\n0.143365 0.465270 0.683832 K\n0.856636 0.534730 0.316167 K\n0.856868 0.059919 0.687131 Ge\n0.143133 0.940082 0.312868 Ge\n0.655298 0.391628 0.714231 Se\n0.344702 0.608374 0.285768 Se\n0.867225 0.810298 0.921002 Se\n0.132775 0.189703 0.078997 Se\n0.225840 0.044828 0.533633 Se\n0.774161 0.955172 0.466366 Se\n",
"nsites": 12,
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"elements": [
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"Ge",
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],
"chemical_system": "Ge-K-Se",
"density": 3.4344330035410775,
"density_atomic": 0.032006840540634206,
"volume": 374.91985454688756,
"volume_molar": 18.815167815000688,
"formula_full": "K4 Ge2 Se6",
"formula_reduced": "K2GeSe3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.425348675,
"spacegroup": 2
},
{
"id": "jvasp-11333",
"created_at": "2022-09-04T14:37:13.463053Z",
"updated_at": "2022-09-04T14:37:13.463074Z",
"structure_string": "Mn2 Zn2 F10\n1.0\n5.132387 -0.026581 -0.034404\n-1.847515 5.095459 -0.076398\n-2.164922 -2.305402 6.904179\nMn Zn F\n2 2 10\ndirect\n0.997014 -0.000607 -0.000814 Mn\n0.496996 -0.000619 0.499175 Mn\n0.791300 0.518250 0.259274 Zn\n0.202698 0.480515 0.739084 Zn\n0.885317 0.165092 0.768657 F\n0.108641 0.833665 0.229678 F\n0.338222 0.215685 0.615690 F\n0.001103 0.713256 0.824718 F\n0.595426 0.759211 0.953407 F\n0.260308 0.693648 0.549230 F\n0.398570 0.239585 0.044922 F\n0.733622 0.305113 0.449099 F\n0.992899 0.285520 0.173647 F\n0.655763 0.783082 0.382655 F\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "F-Mn-Zn",
"density": 4.000128704091058,
"density_atomic": 0.0783069110054968,
"volume": 178.78370912903537,
"volume_molar": 7.690433299785343,
"formula_full": "Mn2 Zn2 F10",
"formula_reduced": "MnZnF5",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.0094249438423645,
"spacegroup": 2
}
]
}