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=-density&page=4357",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=4355",
"results": [
{
"id": "jvasp-43418",
"created_at": "2022-09-04T14:38:10.926103Z",
"updated_at": "2022-09-04T14:38:10.926127Z",
"structure_string": "K16 O8\n1.0\n6.363450 -0.000000 0.000000\n0.000000 6.575013 0.000000\n0.000000 0.000000 12.773143\nK O\n16 8\ndirect\n0.999459 0.261123 0.020874 K\n0.000541 0.738876 0.979125 K\n0.500541 0.761123 0.979125 K\n0.143729 0.119511 0.795893 K\n0.643729 0.380489 0.795893 K\n0.643729 0.880489 0.704107 K\n0.000541 0.238877 0.520874 K\n0.500541 0.261123 0.520874 K\n0.143729 0.619511 0.704107 K\n0.999459 0.761123 0.479126 K\n0.856271 0.380489 0.295893 K\n0.356271 0.119511 0.295893 K\n0.356271 0.619511 0.204107 K\n0.856271 0.880489 0.204107 K\n0.499459 0.238877 0.020874 K\n0.499459 0.738876 0.479126 K\n0.264781 0.471169 0.885066 O\n0.235219 0.971168 0.114934 O\n0.735219 0.528831 0.114934 O\n0.735219 0.028831 0.385066 O\n0.235219 0.471169 0.385066 O\n0.264781 0.971168 0.614934 O\n0.764781 0.528831 0.614934 O\n0.764781 0.028831 0.885066 O\n",
"nsites": 24,
"nelements": 2,
"elements": [
"K",
"O"
],
"chemical_system": "K-O",
"density": 2.3414480113100815,
"density_atomic": 0.04490805186378686,
"volume": 534.425320269865,
"volume_molar": 13.409935434888366,
"formula_full": "K16 O8",
"formula_reduced": "K2O",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0094799999999999,
"spacegroup": 61
},
{
"id": "jvasp-67774",
"created_at": "2022-09-04T14:36:04.698036Z",
"updated_at": "2022-09-04T14:36:04.698053Z",
"structure_string": "Li4 Zr1 Be1\n1.0\n-0.000000 3.567114 3.567114\n3.567114 0.000000 3.567114\n3.567114 3.567114 0.000000\nLi Zr Be\n4 1 1\ndirect\n0.119791 0.626736 0.626736 Li\n0.626736 0.626736 0.626736 Li\n0.626736 0.119791 0.626736 Li\n0.626736 0.626736 0.119791 Li\n0.250000 0.250000 0.250000 Zr\n0.000000 0.000000 0.000000 Be\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Li",
"Zr",
"Be"
],
"chemical_system": "Be-Li-Zr",
"density": 2.3414167557038876,
"density_atomic": 0.06609525579679623,
"volume": 90.77807367061936,
"volume_molar": 9.111305626101995,
"formula_full": "Li4 Zr1 Be1",
"formula_reduced": "Li4ZrBe",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.711801766666667,
"spacegroup": 216
},
{
"id": "jvasp-32703",
"created_at": "2022-09-04T14:37:03.408599Z",
"updated_at": "2022-09-04T14:37:03.408609Z",
"structure_string": "Mn1 H10 S2 N4 O8\n1.0\n5.275259 0.012458 -1.356904\n-1.037394 5.705239 -0.268458\n-0.034000 -0.003009 7.386948\nMn H S N O\n1 10 2 4 8\ndirect\n0.000000 0.000000 0.000000 Mn\n0.780773 0.451799 0.826810 H\n0.560982 0.216287 0.710435 H\n0.219228 0.548202 0.173191 H\n0.902971 0.711605 0.277199 H\n0.871151 0.066252 0.613479 H\n0.097029 0.288396 0.722802 H\n0.712867 0.407343 0.586725 H\n0.287134 0.592658 0.413276 H\n0.439019 0.783714 0.289566 H\n0.128850 0.933748 0.386522 H\n0.639241 0.252329 0.221438 S\n0.360760 0.747672 0.778563 S\n0.069295 0.819251 0.266403 N\n0.265429 0.673092 0.286685 N\n0.930706 0.180749 0.733598 N\n0.734572 0.326908 0.713315 N\n0.694887 0.467223 0.353249 O\n0.833280 0.275323 0.108763 O\n0.375727 0.232404 0.093581 O\n0.660475 0.044386 0.329889 O\n0.339526 0.955614 0.670112 O\n0.624274 0.767597 0.906420 O\n0.166721 0.724678 0.891238 O\n0.305114 0.532777 0.646752 O\n",
"nsites": 25,
"nelements": 5,
"elements": [
"Mn",
"H",
"S",
"N",
"O"
],
"chemical_system": "H-Mn-N-O-S",
"density": 2.3409384563143583,
"density_atomic": 0.11253860429530375,
"volume": 222.1459929821011,
"volume_molar": 5.351177756032739,
"formula_full": "Mn1 H10 S2 N4 O8",
"formula_reduced": "MnH10S2(NO2)4",
"formula_anonymous": "AB2C4D8E10",
"energy_above_hull": 3.731837929655172,
"spacegroup": 2
},
{
"id": "jvasp-31842",
"created_at": "2022-09-04T14:38:07.382936Z",
"updated_at": "2022-09-04T14:38:07.382946Z",
"structure_string": "Ti2 S2 Cl12 O2\n1.0\n6.135858 0.030862 -0.160616\n-2.965276 6.602183 -2.308994\n-0.025999 0.049465 10.771080\nTi S Cl O\n2 2 12 2\ndirect\n0.928971 0.761349 0.854321 Ti\n0.071028 0.238651 0.145679 Ti\n0.363227 0.013561 0.304197 S\n0.636772 0.986439 0.695803 S\n0.181388 0.672759 0.941732 Cl\n0.956926 0.188159 0.668426 Cl\n0.818611 0.327241 0.058268 Cl\n0.207698 0.118356 0.934734 Cl\n0.041461 0.724559 0.655246 Cl\n0.403793 0.522343 0.195831 Cl\n0.545576 0.767284 0.507403 Cl\n0.792302 0.881644 0.065266 Cl\n0.454423 0.232716 0.492597 Cl\n0.043073 0.811840 0.331573 Cl\n0.596206 0.477657 0.804169 Cl\n0.958539 0.275441 0.344754 Cl\n0.693437 0.896848 0.788563 O\n0.306563 0.103152 0.211437 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ti",
"S",
"Cl",
"O"
],
"chemical_system": "Cl-O-S-Ti",
"density": 2.340179546943284,
"density_atomic": 0.041093880552536696,
"volume": 438.02142211874593,
"volume_molar": 14.654592554969254,
"formula_full": "Ti2 S2 Cl12 O2",
"formula_reduced": "TiSCl6O",
"formula_anonymous": "ABCD6",
"energy_above_hull": 1.0193351375925928,
"spacegroup": 2
},
{
"id": "jvasp-8084",
"created_at": "2022-09-04T14:36:54.094456Z",
"updated_at": "2022-09-04T14:36:54.094494Z",
"structure_string": "K2 Cu2 C4\n1.0\n4.913872 -0.000000 0.000000\n0.000000 4.913872 0.000000\n0.000000 0.000000 7.444605\nK Cu C\n2 2 4\ndirect\n0.000000 0.000000 0.750000 K\n0.000000 0.000000 0.250000 K\n0.500000 0.500000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.873021 0.500000 0.500000 C\n0.500000 0.873021 0.000000 C\n0.126978 0.500000 0.500000 C\n0.500000 0.126978 0.000000 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Cu",
"C"
],
"chemical_system": "C-Cu-K",
"density": 2.3401774062166325,
"density_atomic": 0.0445041641059212,
"volume": 179.75845992657605,
"volume_molar": 13.531634355983254,
"formula_full": "K2 Cu2 C4",
"formula_reduced": "KCuC2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.7233821125,
"spacegroup": 131
},
{
"id": "jvasp-99290",
"created_at": "2022-09-04T14:37:46.688136Z",
"updated_at": "2022-09-04T14:37:46.688153Z",
"structure_string": "K12 V4 S8 O8\n1.0\n7.310451 0.000000 0.000000\n0.000000 9.520420 -4.319170\n0.000000 -0.054606 10.806155\nK V S O\n12 4 8 8\ndirect\n0.258340 0.054482 0.116788 K\n0.131481 0.320042 0.839947 K\n0.741659 0.945517 0.883212 K\n0.241660 0.554482 0.616788 K\n0.868519 0.679958 0.160053 K\n0.276258 0.439249 0.213058 K\n0.631481 0.179958 0.660053 K\n0.776258 0.060751 0.286942 K\n0.723742 0.560750 0.786942 K\n0.223742 0.939249 0.713058 K\n0.758340 0.445518 0.383212 K\n0.368519 0.820042 0.339947 K\n0.698211 0.338660 0.029663 V\n0.801789 0.838660 0.529663 V\n0.301789 0.661339 0.970337 V\n0.198211 0.161340 0.470337 V\n0.078549 0.767708 0.908533 S\n0.921451 0.232292 0.091468 S\n0.964000 0.307178 0.555733 S\n0.578549 0.732291 0.591468 S\n0.036000 0.692822 0.444268 S\n0.421451 0.267708 0.408532 S\n0.536000 0.807178 0.055732 S\n0.464000 0.192821 0.944268 S\n0.871169 0.979022 0.670336 O\n0.717208 0.893460 0.414040 O\n0.371169 0.520977 0.829664 O\n0.217208 0.606540 0.085960 O\n0.782792 0.393460 0.914040 O\n0.128831 0.020978 0.329664 O\n0.282792 0.106540 0.585960 O\n0.628831 0.479022 0.170336 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"K",
"V",
"S",
"O"
],
"chemical_system": "K-O-S-V",
"density": 2.340122949375352,
"density_atomic": 0.04264570314614724,
"volume": 750.368680528861,
"volume_molar": 14.12133067512585,
"formula_full": "K12 V4 S8 O8",
"formula_reduced": "K3V(SO)2",
"formula_anonymous": "AB2C2D3",
"energy_above_hull": 1.24835315,
"spacegroup": 14
},
{
"id": "jvasp-105595",
"created_at": "2022-09-04T14:36:22.761073Z",
"updated_at": "2022-09-04T14:36:22.761084Z",
"structure_string": "K2 Sc1 In1 Cl6\n1.0\n6.647699 0.000000 3.838051\n2.215900 6.267511 3.838051\n0.000000 0.000000 7.676103\nK Sc In Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 In\n0.771585 0.228415 0.228415 Cl\n0.228415 0.228415 0.771584 Cl\n0.228415 0.771584 0.771584 Cl\n0.228415 0.771584 0.228415 Cl\n0.771585 0.228415 0.771584 Cl\n0.771585 0.771584 0.228415 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Sc",
"In",
"Cl"
],
"chemical_system": "Cl-In-K-Sc",
"density": 2.3400133776797136,
"density_atomic": 0.031267470925773526,
"volume": 319.82119768302334,
"volume_molar": 19.26008270478952,
"formula_full": "K2 Sc1 In1 Cl6",
"formula_reduced": "K2ScInCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-114322",
"created_at": "2022-09-04T14:38:40.585935Z",
"updated_at": "2022-09-04T14:38:40.585944Z",
"structure_string": "K1 Zn1\n1.0\n4.761371 0.000000 0.000000\n-0.000000 4.761371 -0.000000\n0.000000 0.000000 3.271419\nK Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.000000 Zn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"K",
"Zn"
],
"chemical_system": "K-Zn",
"density": 2.3398903616859257,
"density_atomic": 0.026966822654320897,
"volume": 74.16520758256775,
"volume_molar": 22.331665977842114,
"formula_full": "K1 Zn1",
"formula_reduced": "KZn",
"formula_anonymous": "AB",
"energy_above_hull": 0.064775,
"spacegroup": 123
},
{
"id": "jvasp-14165",
"created_at": "2022-09-04T14:37:40.566389Z",
"updated_at": "2022-09-04T14:37:40.566408Z",
"structure_string": "Li2 S2 O6 F2\n1.0\n4.726562 -0.055583 0.062294\n-0.069479 5.624531 -0.656692\n0.069479 -0.014102 5.662720\nLi S O F\n2 2 6 2\ndirect\n0.000000 0.808386 0.808387 Li\n0.000000 0.191614 0.191614 Li\n0.711254 0.707851 0.292150 S\n0.288745 0.292150 0.707850 S\n0.232264 0.211125 0.463101 O\n0.767736 0.463102 0.211124 O\n0.195254 0.126079 0.873921 O\n0.804745 0.873922 0.126079 O\n0.232264 0.536899 0.788875 O\n0.767736 0.788876 0.536899 O\n0.373813 0.717744 0.282256 F\n0.626186 0.282256 0.717744 F\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"S",
"O",
"F"
],
"chemical_system": "F-Li-O-S",
"density": 2.3398662551138556,
"density_atomic": 0.07975844098556586,
"volume": 150.4542948898873,
"volume_molar": 7.550474514778751,
"formula_full": "Li2 S2 O6 F2",
"formula_reduced": "LiSO3F",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.47956346375,
"spacegroup": 12
},
{
"id": "jvasp-114080",
"created_at": "2022-09-04T14:38:49.734291Z",
"updated_at": "2022-09-04T14:38:49.734313Z",
"structure_string": "Ba1 Sr1 S1\n1.0\n4.412374 0.000000 0.000000\n0.000000 4.412374 -0.000000\n0.000000 0.000000 9.368716\nBa Sr S\n1 1 1\ndirect\n0.000000 0.000000 0.464725 Ba\n0.000000 0.000000 0.032367 Sr\n0.000000 0.000000 0.754055 S\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"S"
],
"chemical_system": "Ba-S-Sr",
"density": 2.3397949047416784,
"density_atomic": 0.016447373201353924,
"volume": 182.3999469868565,
"volume_molar": 36.61460517904626,
"formula_full": "Ba1 Sr1 S1",
"formula_reduced": "BaSrS",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1921540933333333,
"spacegroup": 99
},
{
"id": "jvasp-53444",
"created_at": "2022-09-04T14:35:53.461518Z",
"updated_at": "2022-09-04T14:35:53.461537Z",
"structure_string": "Na3 Y1 Cl6\n1.0\n6.162116 0.004755 4.151199\n2.211257 5.751700 4.151199\n0.006916 0.004754 7.429946\nNa Y Cl\n3 1 6\ndirect\n0.196957 0.196956 0.196957 Na\n0.500001 0.499999 0.500000 Na\n0.803045 0.803042 0.803043 Na\n0.000000 0.000000 0.000000 Y\n0.107331 0.375890 0.772454 Cl\n0.375891 0.772454 0.107330 Cl\n0.772455 0.107329 0.375891 Cl\n0.227547 0.892670 0.624110 Cl\n0.624111 0.227545 0.892671 Cl\n0.892672 0.624109 0.227546 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Na",
"Y",
"Cl"
],
"chemical_system": "Cl-Na-Y",
"density": 2.3397238214043656,
"density_atomic": 0.03802052439126447,
"volume": 263.0158357915122,
"volume_molar": 15.839183852455324,
"formula_full": "Na3 Y1 Cl6",
"formula_reduced": "Na3YCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0011,
"spacegroup": 148
},
{
"id": "jvasp-120944",
"created_at": "2022-09-04T14:38:54.550053Z",
"updated_at": "2022-09-04T14:38:54.550075Z",
"structure_string": "Ca2 Br1\n1.0\n5.908811 -0.000000 0.000000\n-2.954405 5.117180 -0.000000\n-0.000000 -0.000000 3.757838\nCa Br\n2 1\ndirect\n0.333333 0.666667 0.000000 Ca\n0.666667 0.333333 0.000000 Ca\n0.000000 0.000000 0.000000 Br\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ca",
"Br"
],
"chemical_system": "Br-Ca",
"density": 2.33917688436735,
"density_atomic": 0.026402947266774727,
"volume": 113.62367881464422,
"volume_molar": 22.80859291636058,
"formula_full": "Ca2 Br1",
"formula_reduced": "Ca2Br",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2007034733333334,
"spacegroup": 191
}
]
}