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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-structure_string&page=1242",
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"results": [
{
"id": "jvasp-30207",
"created_at": "2022-09-04T14:37:06.109521Z",
"updated_at": "2022-09-04T14:37:06.109546Z",
"structure_string": "Sb4 O4 F4\n1.0\n12.641592 0.000000 0.000000\n0.000000 3.568860 0.000000\n0.000000 -0.000000 3.985754\nSb O F\n4 4 4\ndirect\n0.150726 0.250000 0.202145 Sb\n0.349274 0.750000 0.702145 Sb\n0.650726 0.250000 0.297854 Sb\n0.849274 0.750000 0.797854 Sb\n0.251608 0.750000 0.291812 O\n0.248392 0.250000 0.791811 O\n0.751608 0.750000 0.208188 O\n0.748392 0.250000 0.708187 O\n0.085744 0.750000 0.881246 F\n0.414256 0.250000 0.381246 F\n0.585743 0.750000 0.618752 F\n0.914256 0.250000 0.118753 F\n",
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],
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"formula_full": "Sb4 O4 F4",
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"spacegroup": 62
},
{
"id": "jvasp-50678",
"created_at": "2022-09-04T14:36:52.631792Z",
"updated_at": "2022-09-04T14:36:52.631812Z",
"structure_string": "Sb4 O4 F12\n1.0\n8.528462 0.000000 -0.000000\n-0.000000 8.528462 -0.000000\n0.000000 0.000000 3.761222\nSb O F\n4 4 12\ndirect\n0.642424 0.142424 0.749952 Sb\n0.142424 0.357576 0.250047 Sb\n0.857576 0.642424 0.250047 Sb\n0.357576 0.857576 0.749952 Sb\n0.618309 0.118309 0.249953 O\n0.118309 0.381691 0.750047 O\n0.881691 0.618309 0.750047 O\n0.381691 0.881691 0.249953 O\n0.876748 0.862800 0.250090 F\n0.376748 0.637200 0.749910 F\n0.637200 0.623252 0.250090 F\n0.102682 0.602682 0.250022 F\n0.897318 0.397318 0.250022 F\n0.862800 0.123252 0.749910 F\n0.623252 0.362800 0.749910 F\n0.123252 0.137200 0.250090 F\n0.137200 0.876748 0.749910 F\n0.397318 0.102682 0.749978 F\n0.362800 0.376748 0.250090 F\n0.602682 0.897318 0.749978 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sb",
"O",
"F"
],
"chemical_system": "F-O-Sb",
"density": 4.728533054806536,
"density_atomic": 0.07310710568721351,
"volume": 273.5712187207818,
"volume_molar": 8.237421935106477,
"formula_full": "Sb4 O4 F12",
"formula_reduced": "SbOF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.3729720894999998,
"spacegroup": 136
},
{
"id": "jvasp-30212",
"created_at": "2022-09-04T14:37:07.523307Z",
"updated_at": "2022-09-04T14:37:07.523330Z",
"structure_string": "Sb4 O4 F12\n1.0\n8.386077 -0.071309 0.193912\n-2.312092 4.996869 -0.041569\n-1.012965 -2.004132 7.560327\nSb O F\n4 4 12\ndirect\n0.210796 0.527294 0.526372 Sb\n0.423307 0.407224 0.181948 Sb\n0.576694 0.592776 0.818052 Sb\n0.789206 0.472707 0.473628 Sb\n0.321972 0.468389 0.731525 O\n0.398217 0.627809 0.390017 O\n0.601784 0.372192 0.609983 O\n0.678029 0.531612 0.268475 O\n0.909553 0.847823 0.607640 F\n0.726367 0.096511 0.372472 F\n0.348716 0.046719 0.218777 F\n0.480564 0.266385 0.939880 F\n0.519437 0.733616 0.060119 F\n0.195235 0.311245 0.047305 F\n0.273634 0.903489 0.627528 F\n0.090449 0.152177 0.392360 F\n0.804766 0.688755 -0.047306 F\n-0.013272 0.438303 0.642431 F\n0.651285 -0.046719 0.781223 F\n0.013273 0.561698 0.357569 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sb",
"O",
"F"
],
"chemical_system": "F-O-Sb",
"density": 4.084066352907251,
"density_atomic": 0.06314310739396936,
"volume": 316.7408261239635,
"volume_molar": 9.537289196785967,
"formula_full": "Sb4 O4 F12",
"formula_reduced": "SbOF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.3676700894999998,
"spacegroup": 2
},
{
"id": "jvasp-10360",
"created_at": "2022-09-04T14:36:38.324447Z",
"updated_at": "2022-09-04T14:36:38.324467Z",
"structure_string": "Sb4 O10\n1.0\n9.764069 0.000000 0.000000\n0.000000 5.093345 -1.993390\n0.000000 -0.000000 3.986782\nSb O\n4 10\ndirect\n0.184959 0.770134 0.885066 Sb\n0.315041 0.229867 0.614934 Sb\n0.684959 0.229867 0.614934 Sb\n0.815041 0.770134 0.885066 Sb\n0.000000 0.921861 0.960931 O\n0.129621 0.399144 0.699572 O\n0.213464 0.867166 0.433583 O\n0.286536 0.132833 0.066416 O\n0.370379 0.600857 0.800428 O\n0.500000 0.078140 0.539069 O\n0.629621 0.600857 0.800428 O\n0.870379 0.399144 0.699572 O\n0.713464 0.132833 0.066416 O\n0.786536 0.867166 0.433583 O\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Sb",
"O"
],
"chemical_system": "O-Sb",
"density": 5.419007809916521,
"density_atomic": 0.07061087817794418,
"volume": 198.26973352064897,
"volume_molar": 8.528630312207417,
"formula_full": "Sb4 O10",
"formula_reduced": "Sb2O5",
"formula_anonymous": "A2B5",
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"spacegroup": 63
},
{
"id": "jvasp-9099",
"created_at": "2022-09-04T14:37:27.463411Z",
"updated_at": "2022-09-04T14:37:27.463433Z",
"structure_string": "Sb4 O10\n1.0\n4.546345 -0.000000 -1.719306\n-0.464529 5.342729 -1.228350\n-0.002452 0.013881 6.864097\nSb O\n4 10\ndirect\n0.621778 0.220625 0.724725 Sb\n0.897052 0.279375 0.275274 Sb\n0.378221 0.779375 0.275275 Sb\n0.102947 0.720625 0.724725 Sb\n0.575570 0.250000 -0.000001 O\n0.424429 0.750000 -0.000000 O\n0.189571 0.445889 0.202038 O\n0.987532 0.054111 0.797961 O\n0.782814 0.623871 0.405269 O\n0.377546 0.876129 0.594730 O\n0.217185 0.376129 0.594730 O\n0.622454 0.123871 0.405270 O\n0.012467 0.945889 0.202038 O\n0.810428 0.554111 0.797961 O\n",
"nsites": 14,
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"elements": [
"Sb",
"O"
],
"chemical_system": "O-Sb",
"density": 6.4416208347966455,
"density_atomic": 0.08393575355288883,
"volume": 166.7942373470019,
"volume_molar": 7.174702680432104,
"formula_full": "Sb4 O10",
"formula_reduced": "Sb2O5",
"formula_anonymous": "A2B5",
"energy_above_hull": 2.294335671428572,
"spacegroup": 15
},
{
"id": "jvasp-102243",
"created_at": "2022-09-04T14:36:43.160002Z",
"updated_at": "2022-09-04T14:36:43.160013Z",
"structure_string": "Sb4 N4\n1.0\n5.406454 0.000000 0.000000\n0.000000 5.736278 0.000000\n0.000000 0.000000 5.085867\nSb N\n4 4\ndirect\n0.533779 0.790125 0.169674 Sb\n0.466220 0.209875 0.669674 Sb\n0.966220 0.790125 0.669674 Sb\n0.033780 0.209875 0.169674 Sb\n0.603742 0.878357 0.563447 N\n0.396257 0.121644 0.063446 N\n0.896257 0.878357 0.063446 N\n0.103743 0.121644 0.563447 N\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sb",
"N"
],
"chemical_system": "N-Sb",
"density": 5.717348286971377,
"density_atomic": 0.05072035509441566,
"volume": 157.72760236216888,
"volume_molar": 11.873222789528619,
"formula_full": "Sb4 N4",
"formula_reduced": "SbN",
"formula_anonymous": "AB",
"energy_above_hull": 2.398239675,
"spacegroup": 29
},
{
"id": "jvasp-87331",
"created_at": "2022-09-04T14:35:54.864760Z",
"updated_at": "2022-09-04T14:35:54.864790Z",
"structure_string": "Sb4 Ir4 S4\n1.0\n6.126271 0.000000 0.000000\n0.000000 6.109322 0.000000\n0.000000 0.000000 6.128390\nSb Ir S\n4 4 4\ndirect\n0.379572 0.634027 0.382003 Sb\n0.620427 0.365972 0.882003 Sb\n0.120428 0.634027 0.882003 Sb\n0.879572 0.365972 0.382003 Sb\n0.510151 0.766095 0.999456 Ir\n0.489849 0.233905 0.499456 Ir\n0.989849 0.766095 0.499456 Ir\n0.010151 0.233905 0.999456 Ir\n0.118351 0.126283 0.620742 S\n0.881649 0.873717 0.120742 S\n0.381649 0.126283 0.120742 S\n0.618351 0.873717 0.620742 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sb",
"Ir",
"S"
],
"chemical_system": "Ir-S-Sb",
"density": 10.020797521436938,
"density_atomic": 0.05231733710567521,
"volume": 229.3694722222068,
"volume_molar": 11.510793731408663,
"formula_full": "Sb4 Ir4 S4",
"formula_reduced": "SbIrS",
"formula_anonymous": "ABC",
"energy_above_hull": 2.2374524,
"spacegroup": 29
},
{
"id": "jvasp-10264",
"created_at": "2022-09-04T14:38:33.285090Z",
"updated_at": "2022-09-04T14:38:33.285118Z",
"structure_string": "Sb4 Ir4 S4\n1.0\n6.119374 0.000000 -0.000000\n0.000000 6.119374 0.000000\n-0.000000 -0.000000 6.119374\nSb Ir S\n4 4 4\ndirect\n0.376699 0.376699 0.376699 Sb\n0.123301 0.623301 0.876698 Sb\n0.876698 0.123301 0.623301 Sb\n0.623301 0.876698 0.123301 Sb\n0.987465 0.512533 0.487466 Ir\n0.512533 0.487466 0.987465 Ir\n0.487466 0.987465 0.512533 Ir\n0.012534 0.012534 0.012534 Ir\n0.383312 0.116688 0.883312 S\n0.116688 0.883312 0.383312 S\n0.883312 0.383312 0.116688 S\n0.616687 0.616687 0.616687 S\n",
"nsites": 12,
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"elements": [
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"Ir",
"S"
],
"chemical_system": "Ir-S-Sb",
"density": 10.030369026091162,
"density_atomic": 0.05236730874062065,
"volume": 229.15059583139802,
"volume_molar": 11.499809527787901,
"formula_full": "Sb4 Ir4 S4",
"formula_reduced": "SbIrS",
"formula_anonymous": "ABC",
"energy_above_hull": 2.235549066666666,
"spacegroup": 198
},
{
"id": "jvasp-98083",
"created_at": "2022-09-04T14:35:42.627827Z",
"updated_at": "2022-09-04T14:35:42.627838Z",
"structure_string": "Sb4 I4 Cl8 F24\n1.0\n7.809982 -0.002994 -0.000000\n-0.913610 7.756362 0.000000\n0.000000 0.000000 13.033347\nSb I Cl F\n4 4 8 24\ndirect\n0.300208 0.699792 0.559946 Sb\n0.199792 0.800208 0.059946 Sb\n0.800208 0.199792 0.940055 Sb\n0.699792 0.300208 0.440054 Sb\n0.336494 0.163506 0.750000 I\n0.663506 0.836494 0.250000 I\n0.836494 0.663506 0.750000 I\n0.163506 0.336494 0.250000 I\n0.793681 0.880248 0.634952 Cl\n0.293681 0.380248 0.865048 Cl\n0.380248 0.293682 0.134952 Cl\n0.706318 0.619752 0.134952 Cl\n0.880248 0.793682 0.365048 Cl\n0.619752 0.706319 0.865048 Cl\n0.119752 0.206319 0.634952 Cl\n0.206319 0.119752 0.365048 Cl\n0.526816 0.205685 0.534155 F\n0.473183 0.794315 0.465845 F\n0.294315 0.973183 0.965845 F\n0.145897 0.854103 0.509767 F\n0.876758 0.382384 0.339704 F\n0.882383 0.376759 0.839704 F\n0.794315 0.473184 0.534155 F\n0.623241 0.117617 0.839704 F\n0.382384 0.876759 0.660297 F\n0.645897 0.354103 -0.009767 F\n0.973183 0.294315 0.034155 F\n0.617616 0.123242 0.339704 F\n0.705685 0.026817 0.034155 F\n0.376758 0.882384 0.160297 F\n0.551508 0.448492 0.378311 F\n0.448492 0.551508 0.621689 F\n0.854103 0.145898 0.490234 F\n0.026816 0.705685 0.965845 F\n0.205685 0.526816 0.465845 F\n0.948492 0.051508 0.878311 F\n0.051508 0.948492 0.121689 F\n0.117616 0.623241 0.160297 F\n0.123241 0.617616 0.660297 F\n0.354103 0.645897 0.009767 F\n",
"nsites": 40,
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"elements": [
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"I",
"Cl",
"F"
],
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"density": 3.6476632444780224,
"density_atomic": 0.05066587429380191,
"volume": 789.4860309337108,
"volume_molar": 11.885990015841301,
"formula_full": "Sb4 I4 Cl8 F24",
"formula_reduced": "SbI(ClF3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 64
},
{
"id": "jvasp-86222",
"created_at": "2022-09-04T14:36:02.102396Z",
"updated_at": "2022-09-04T14:36:02.102413Z",
"structure_string": "Sb4 I12\n1.0\n7.342832 0.093759 0.000000\n-2.963133 8.099893 0.000000\n0.000000 0.000000 10.981405\nSb I\n4 12\ndirect\n0.040535 0.667055 0.673854 Sb\n0.040535 0.167055 0.826145 Sb\n0.959465 0.832945 0.173854 Sb\n0.959465 0.332945 0.326145 Sb\n0.225966 0.699260 0.442152 I\n0.340141 0.458592 0.742050 I\n0.340141 0.958591 0.757949 I\n0.777779 0.325291 0.907094 I\n0.222221 0.674709 0.092905 I\n0.777779 0.825291 0.592905 I\n0.774034 0.300740 0.557847 I\n0.225966 0.199260 0.057848 I\n0.774034 0.800740 0.942152 I\n0.222221 0.174709 0.407094 I\n0.659859 0.041408 0.242051 I\n0.659859 0.541408 0.257949 I\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "I-Sb",
"density": 5.086247289993947,
"density_atomic": 0.024383457131470655,
"volume": 656.1825877984096,
"volume_molar": 24.69764942489426,
"formula_full": "Sb4 I12",
"formula_reduced": "SbI3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.08480623125,
"spacegroup": 14
},
{
"id": "jvasp-86824",
"created_at": "2022-09-04T14:35:56.008261Z",
"updated_at": "2022-09-04T14:35:56.008285Z",
"structure_string": "Sb4 I12\n1.0\n7.341914 0.093416 0.000000\n-2.962922 8.099434 0.000000\n0.000000 0.000000 10.980844\nSb I\n4 12\ndirect\n0.040517 0.667078 0.673872 Sb\n0.040517 0.167078 0.826127 Sb\n0.959482 0.832922 0.173872 Sb\n0.959482 0.332922 0.326128 Sb\n0.225915 0.699239 0.442130 I\n0.340172 0.458665 0.742091 I\n0.340172 0.958665 0.757908 I\n0.777706 0.325269 0.907148 I\n0.222294 0.674731 0.092852 I\n0.777706 0.825268 0.592852 I\n0.774085 0.300761 0.557869 I\n0.225914 0.199239 0.057869 I\n0.774085 0.800761 0.942130 I\n0.222294 0.174732 0.407148 I\n0.659827 0.041335 0.242092 I\n0.659827 0.541335 0.257908 I\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "I-Sb",
"density": 5.0875153562379305,
"density_atomic": 0.02438953623795863,
"volume": 656.0190338961188,
"volume_molar": 24.69149352101024,
"formula_full": "Sb4 I12",
"formula_reduced": "SbI3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.08476123125,
"spacegroup": 14
},
{
"id": "jvasp-54780",
"created_at": "2022-09-04T14:37:04.711996Z",
"updated_at": "2022-09-04T14:37:04.712012Z",
"structure_string": "Sb4 H4 O12\n1.0\n5.373006 5.362724 0.000000\n0.000000 5.362724 5.007192\n5.373006 0.000000 5.007192\nSb H O\n4 4 12\ndirect\n0.997968 0.496866 0.002440 Sb\n0.997275 0.997559 0.503134 Sb\n0.496867 0.997967 0.002726 Sb\n0.997561 0.997273 0.002033 Sb\n0.588216 0.052082 0.264499 H\n0.052083 0.588215 0.595205 H\n0.404796 0.735501 0.947918 H\n0.735502 0.404794 0.411785 H\n0.308745 0.308743 0.941256 O\n0.930911 0.930910 0.319090 O\n0.897364 0.337506 0.341910 O\n0.337508 0.897362 0.923221 O\n0.681711 0.070252 0.690165 O\n0.076780 0.658090 0.662493 O\n0.680911 0.680910 0.069090 O\n0.058745 0.058744 0.691256 O\n0.942128 0.309834 0.929748 O\n0.658091 0.076779 0.102637 O\n0.070253 0.681710 0.057873 O\n0.309836 0.942127 0.318290 O\n",
"nsites": 20,
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"elements": [
"Sb",
"H",
"O"
],
"chemical_system": "H-O-Sb",
"density": 3.930826169198034,
"density_atomic": 0.0693111307141529,
"volume": 288.5539421147565,
"volume_molar": 8.688562281339777,
"formula_full": "Sb4 H4 O12",
"formula_reduced": "SbHO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.1932513200000003,
"spacegroup": 43
}
]
}