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{
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"results": [
{
"id": "jvasp-98570",
"created_at": "2022-09-04T14:36:01.468602Z",
"updated_at": "2022-09-04T14:36:01.468633Z",
"structure_string": "Sb4 Xe4 O4 F36\n1.0\n8.539581 -0.040166 -0.369741\n-2.599516 8.780000 -3.334725\n0.016140 -0.068660 10.055199\nSb Xe O F\n4 4 4 36\ndirect\n0.925504 0.747057 0.251630 Sb\n0.433577 0.775896 0.585864 Sb\n0.074496 0.252943 0.748370 Sb\n0.566422 0.224103 0.414136 Sb\n0.560832 0.228757 0.878765 Xe\n0.925846 0.795198 0.723374 Xe\n0.439167 0.771243 0.121234 Xe\n0.074153 0.204802 0.276625 Xe\n0.102766 0.884668 0.864669 O\n0.266480 0.786834 0.019821 O\n0.733519 0.213165 0.980178 O\n0.897233 0.115332 0.135330 O\n0.746781 0.139784 0.401565 F\n0.685879 0.427771 0.865870 F\n0.869166 0.531052 0.166841 F\n0.778942 0.650169 0.795025 F\n0.064407 0.228475 0.927369 F\n0.412841 0.748371 0.762665 F\n0.253218 0.860216 0.598435 F\n0.587158 0.251629 0.237335 F\n0.695050 0.741635 0.235200 F\n0.479098 0.368515 0.039770 F\n0.221057 0.349831 0.204975 F\n0.153740 0.770733 0.285201 F\n0.363252 0.281209 0.421688 F\n0.314120 0.572228 0.134130 F\n0.023442 0.028557 0.656121 F\n0.846259 0.229266 0.714798 F\n0.691247 0.427760 0.521946 F\n0.976558 0.971442 0.343879 F\n0.522735 0.185728 0.585654 F\n0.426385 0.013292 0.306793 F\n0.520901 0.631485 0.960230 F\n0.304949 0.258364 0.764800 F\n0.130833 0.468948 0.833159 F\n0.935592 0.771524 0.072630 F\n0.009887 0.615236 0.629051 F\n0.096510 0.260765 0.561441 F\n0.477264 0.814271 0.414345 F\n0.806992 0.939145 0.839807 F\n0.193007 0.060854 0.160192 F\n0.606089 0.932995 0.078882 F\n0.636748 0.718790 0.578312 F\n0.308752 0.572240 0.478053 F\n-0.009887 0.384764 0.370949 F\n0.393910 0.067005 0.921118 F\n0.903490 0.739235 0.438558 F\n0.573614 0.986708 0.693207 F\n",
"nsites": 48,
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"Sb",
"Xe",
"O",
"F"
],
"chemical_system": "F-O-Sb-Xe",
"density": 3.89241140630171,
"density_atomic": 0.0639235189465853,
"volume": 750.8973346744092,
"volume_molar": 9.420853011912753,
"formula_full": "Sb4 Xe4 O4 F36",
"formula_reduced": "SbXeOF9",
"formula_anonymous": "ABCD9",
"energy_above_hull": 0.0,
"spacegroup": 2
},
{
"id": "jvasp-13037",
"created_at": "2022-09-04T14:36:52.644588Z",
"updated_at": "2022-09-04T14:36:52.644601Z",
"structure_string": "Sb6 Cl2 O8\n1.0\n0.000000 5.644468 -0.074616\n5.445903 0.000000 0.000000\n0.000000 -0.719185 -9.464926\nSb Cl O\n6 2 8\ndirect\n0.296732 0.702534 0.206030 Sb\n0.750000 0.811763 0.500000 Sb\n0.250000 0.188236 0.500000 Sb\n0.203267 0.702534 0.793970 Sb\n0.703267 0.297465 0.793971 Sb\n0.796733 0.297465 0.206030 Sb\n0.750000 0.729310 0.000000 Cl\n0.250000 0.270689 0.000000 Cl\n0.902110 0.080930 0.378799 O\n0.597890 0.080930 0.621202 O\n0.097889 0.919069 0.621202 O\n0.402110 0.919069 0.378799 O\n0.530994 0.463688 0.299787 O\n0.469005 0.536312 0.700214 O\n0.969006 0.463688 0.700214 O\n0.030994 0.536312 0.299786 O\n",
"nsites": 16,
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"elements": [
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"Cl",
"O"
],
"chemical_system": "Cl-O-Sb",
"density": 5.299491630245213,
"density_atomic": 0.05493812469384618,
"volume": 291.2367338558285,
"volume_molar": 10.961678786015357,
"formula_full": "Sb6 Cl2 O8",
"formula_reduced": "Sb3ClO4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.9462832959375,
"spacegroup": 13
},
{
"id": "jvasp-119150",
"created_at": "2022-09-04T14:38:51.403035Z",
"updated_at": "2022-09-04T14:38:51.403064Z",
"structure_string": "Sb6 O13\n1.0\n6.358777 0.000012 -3.729504\n-2.076970 5.993909 -3.755330\n0.008126 -0.000012 7.371783\nSb O\n6 13\ndirect\n0.247439 0.999636 0.247802 Sb\n0.751835 0.999636 0.752199 Sb\n0.746701 0.996211 0.249511 Sb\n0.746701 0.497190 0.750490 Sb\n0.252455 0.515605 0.263151 Sb\n0.252455 0.989304 0.736850 Sb\n0.654375 0.059333 0.981158 O\n0.654374 0.673216 0.595040 O\n0.078176 0.059333 0.404961 O\n0.676738 0.676738 0.000000 O\n0.069322 0.069322 0.000000 O\n0.839062 0.324890 0.908941 O\n0.839061 0.930121 0.514171 O\n0.078176 0.673216 0.018843 O\n0.415950 0.930121 0.091060 O\n0.816048 0.316047 0.500001 O\n0.426653 0.926652 0.500000 O\n0.415950 0.324890 0.485830 O\n0.163541 0.663540 0.500000 O\n",
"nsites": 19,
"nelements": 2,
"elements": [
"Sb",
"O"
],
"chemical_system": "O-Sb",
"density": 5.543331626877027,
"density_atomic": 0.06757980468332422,
"volume": 281.1490812829824,
"volume_molar": 8.91115443174106,
"formula_full": "Sb6 O13",
"formula_reduced": "Sb6O13",
"formula_anonymous": "A6B13",
"energy_above_hull": 2.6474522157894738,
"spacegroup": 44
},
{
"id": "jvasp-52334",
"created_at": "2022-09-04T14:37:09.021180Z",
"updated_at": "2022-09-04T14:37:09.021201Z",
"structure_string": "Sb6 O8 F2\n1.0\n0.000000 5.504169 -0.263535\n5.134264 0.000000 0.000000\n0.000000 0.053430 -9.350769\nSb O F\n6 8 2\ndirect\n0.146049 0.720433 0.814976 Sb\n0.646049 0.279566 0.814977 Sb\n0.250000 0.197159 0.500000 Sb\n0.750000 0.802840 0.500000 Sb\n0.353951 0.720433 0.185024 Sb\n0.853951 0.279566 0.185024 Sb\n0.462103 0.574779 0.734236 O\n0.962103 0.425220 0.734236 O\n0.078822 0.904326 0.619579 O\n0.578822 0.095673 0.619579 O\n0.421178 0.904326 0.380422 O\n0.921179 0.095673 0.380422 O\n0.037897 0.574779 0.265764 O\n0.537897 0.425220 0.265765 O\n0.250000 0.415850 0.000000 F\n0.750000 0.584149 0.000000 F\n",
"nsites": 16,
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"elements": [
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"O",
"F"
],
"chemical_system": "F-O-Sb",
"density": 5.635417942886425,
"density_atomic": 0.060564973120059616,
"volume": 264.17909850769286,
"volume_molar": 9.943273231645202,
"formula_full": "Sb6 O8 F2",
"formula_reduced": "Sb3O4F",
"formula_anonymous": "AB3C4",
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"spacegroup": 13
},
{
"id": "jvasp-12185",
"created_at": "2022-09-04T14:36:59.983169Z",
"updated_at": "2022-09-04T14:36:59.983196Z",
"structure_string": "Sb6 Pb2\n1.0\n6.818671 -0.000000 -0.000000\n-3.409336 5.905142 0.000000\n0.000000 0.000000 5.778827\nSb Pb\n6 2\ndirect\n0.164102 0.328205 0.249999 Sb\n0.671794 0.835897 0.249999 Sb\n0.164102 0.835897 0.249999 Sb\n0.835898 0.671796 0.749999 Sb\n0.328205 0.164102 0.749999 Sb\n0.835897 0.164102 0.749999 Sb\n0.333333 0.666667 0.749999 Pb\n0.666666 0.333333 0.249999 Pb\n",
"nsites": 8,
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"elements": [
"Sb",
"Pb"
],
"chemical_system": "Pb-Sb",
"density": 8.170895138344843,
"density_atomic": 0.034381135183983336,
"volume": 232.68574342265606,
"volume_molar": 17.515828746705985,
"formula_full": "Sb6 Pb2",
"formula_reduced": "Sb3Pb",
"formula_anonymous": "AB3",
"energy_above_hull": 1.31753228,
"spacegroup": 194
},
{
"id": "jvasp-15721",
"created_at": "2022-09-04T14:36:52.540131Z",
"updated_at": "2022-09-04T14:36:52.540138Z",
"structure_string": "Sb6 Te3\n1.0\n2.184663 -3.783947 -0.000000\n2.184663 3.783947 0.000000\n-0.000000 -0.000000 17.866264\nSb Te\n6 3\ndirect\n0.000000 0.000000 0.346782 Sb\n0.000000 0.000000 0.653217 Sb\n0.666667 0.333332 0.566749 Sb\n0.333332 0.666667 0.110611 Sb\n0.666667 0.333332 0.889389 Sb\n0.333332 0.666667 0.433251 Sb\n0.000000 0.000000 0.000000 Te\n0.666667 0.333332 0.206320 Te\n0.333332 0.666667 0.793680 Te\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Sb",
"Te"
],
"chemical_system": "Sb-Te",
"density": 6.258805719548746,
"density_atomic": 0.030468373339330383,
"volume": 295.3882670323678,
"volume_molar": 19.765219143570956,
"formula_full": "Sb6 Te3",
"formula_reduced": "Sb2Te",
"formula_anonymous": "AB2",
"energy_above_hull": 1.1993133222222228,
"spacegroup": 164
},
{
"id": "jvasp-10173",
"created_at": "2022-09-04T14:37:18.649194Z",
"updated_at": "2022-09-04T14:37:18.649221Z",
"structure_string": "Sb6 Te6\n1.0\n2.179274 -3.774614 0.000000\n2.179274 3.774614 -0.000000\n-0.000000 0.000000 24.256050\nSb Te\n6 6\ndirect\n0.000000 0.000000 0.872047 Sb\n0.000000 0.000000 0.127953 Sb\n0.333332 0.666666 0.708078 Sb\n0.666666 0.333332 0.291922 Sb\n0.333332 0.666666 0.467938 Sb\n0.666666 0.333332 0.532062 Sb\n0.333332 0.666666 0.942373 Te\n0.666666 0.333332 0.057627 Te\n0.333332 0.666666 0.210241 Te\n0.666666 0.333332 0.789759 Te\n0.000000 0.000000 0.637300 Te\n0.000000 0.000000 0.362700 Te\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Sb-Te",
"density": 6.225764351871024,
"density_atomic": 0.030070924990787663,
"volume": 399.05656389606384,
"volume_molar": 20.026456658200253,
"formula_full": "Sb6 Te6",
"formula_reduced": "SbTe",
"formula_anonymous": "AB",
"energy_above_hull": 0.7861019333333336,
"spacegroup": 164
},
{
"id": "jvasp-20331",
"created_at": "2022-09-04T14:38:34.322117Z",
"updated_at": "2022-09-04T14:38:34.322131Z",
"structure_string": "Sb8 Au4\n1.0\n6.790863 0.000000 -0.000000\n0.000000 6.790863 0.000000\n0.000000 -0.000000 6.790863\nSb Au\n8 4\ndirect\n0.375942 0.124058 0.875942 Sb\n0.124058 0.875942 0.375942 Sb\n0.875942 0.375942 0.124058 Sb\n0.624058 0.624058 0.624058 Sb\n0.375942 0.375942 0.375942 Sb\n0.124058 0.624058 0.875942 Sb\n0.875942 0.124058 0.624058 Sb\n0.624058 0.875942 0.124058 Sb\n0.000000 0.500000 0.500000 Au\n0.500000 0.500000 0.000000 Au\n0.500000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Au-Sb",
"density": 9.342580582805404,
"density_atomic": 0.03831830932675273,
"volume": 313.16621768648724,
"volume_molar": 15.716092034873563,
"formula_full": "Sb8 Au4",
"formula_reduced": "Sb2Au",
"formula_anonymous": "AB2",
"energy_above_hull": 1.0603732566666673,
"spacegroup": 205
},
{
"id": "jvasp-29244",
"created_at": "2022-09-04T14:38:03.653625Z",
"updated_at": "2022-09-04T14:38:03.653645Z",
"structure_string": "Sb8 Br4 O10\n1.0\n5.181829 0.000000 0.000000\n0.000000 6.577290 -0.879948\n0.000000 0.095104 13.656607\nSb Br O\n8 4 10\ndirect\n0.778228 0.820878 0.948397 Sb\n0.278227 0.179121 0.551604 Sb\n0.221773 0.179122 0.051603 Sb\n0.721773 0.820878 0.448397 Sb\n0.876046 0.195568 0.797892 Sb\n0.376046 0.804431 0.702108 Sb\n0.123955 0.804432 0.202108 Sb\n0.623955 0.195568 0.297892 Sb\n0.791400 0.503281 0.617932 Br\n0.291400 0.496718 0.882068 Br\n0.208601 0.496718 0.382068 Br\n0.708601 0.503282 0.117932 Br\n0.162569 0.075036 0.709865 O\n0.337431 0.075036 0.209865 O\n0.837431 0.924964 0.290135 O\n0.993457 0.931997 0.082539 O\n0.493457 0.068003 0.417461 O\n0.006543 0.068003 0.917461 O\n0.506544 0.931996 0.582539 O\n0.500000 0.000000 0.000000 O\n0.000000 -0.000000 0.500000 O\n0.662569 0.924963 0.790135 O\n",
"nsites": 22,
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"elements": [
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"Br",
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],
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"density": 5.181357830796882,
"density_atomic": 0.04722210762314819,
"volume": 465.8834835490409,
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"formula_full": "Sb8 Br4 O10",
"formula_reduced": "Sb4Br2O5",
"formula_anonymous": "A2B4C5",
"energy_above_hull": 1.898088191818182,
"spacegroup": 14
},
{
"id": "jvasp-119487",
"created_at": "2022-09-04T14:38:49.884998Z",
"updated_at": "2022-09-04T14:38:49.885023Z",
"structure_string": "Sb8 Cl2 O11\n1.0\n4.176857 0.046495 0.230259\n1.610475 8.657238 1.272040\n0.008385 0.094337 11.227260\nSb Cl O\n8 2 11\ndirect\n0.670999 0.519502 0.858238 Sb\n0.329004 0.480498 0.141762 Sb\n0.300082 0.042391 0.683700 Sb\n0.699921 0.957609 0.316300 Sb\n0.870050 0.850326 0.939593 Sb\n0.129953 0.149674 0.060407 Sb\n0.233858 0.449077 0.640816 Sb\n0.766145 0.550923 0.359184 Sb\n0.907704 0.193256 0.511258 Cl\n0.092299 0.806744 0.488742 Cl\n0.500000 -0.000000 0.000000 O\n0.434596 0.248852 0.142987 O\n0.565407 0.751148 0.857013 O\n0.085841 0.003291 0.211560 O\n0.714627 0.490484 0.684622 O\n0.822268 0.455247 0.199941 O\n0.177735 0.544753 0.800059 O\n0.285376 0.509516 0.315378 O\n0.286868 0.240856 0.744728 O\n0.914161 -0.003291 0.788440 O\n0.713135 0.759144 0.255272 O\n",
"nsites": 21,
"nelements": 3,
"elements": [
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"Cl",
"O"
],
"chemical_system": "Cl-O-Sb",
"density": 5.0104004309874695,
"density_atomic": 0.05189604919343994,
"volume": 404.655081193629,
"volume_molar": 11.604237419986964,
"formula_full": "Sb8 Cl2 O11",
"formula_reduced": "Sb8Cl2O11",
"formula_anonymous": "A2B8C11",
"energy_above_hull": 2.3266154969047617,
"spacegroup": 2
},
{
"id": "jvasp-55660",
"created_at": "2022-09-04T14:38:08.116300Z",
"updated_at": "2022-09-04T14:38:08.116330Z",
"structure_string": "Sb8 Cl4 O10\n1.0\n0.000000 6.265493 0.053829\n5.149485 0.000000 0.000000\n0.000000 -1.461658 -13.607540\nSb Cl O\n8 4 10\ndirect\n0.794213 0.620697 0.702417 Sb\n0.205786 0.120697 0.797583 Sb\n0.205786 0.379304 0.297583 Sb\n0.794213 0.879304 0.202417 Sb\n0.191059 0.721456 0.549341 Sb\n0.808940 0.221456 0.950659 Sb\n0.808941 0.278544 0.450659 Sb\n0.191059 0.778545 0.049341 Sb\n0.497895 0.791954 0.383109 Cl\n0.502104 0.291954 0.116891 Cl\n0.497895 0.708047 0.883109 Cl\n0.502104 0.208046 0.616891 Cl\n0.000000 0.500000 0.000000 O\n0.070891 0.506788 0.417634 O\n0.929108 0.006787 0.082365 O\n0.929108 0.493213 0.582365 O\n0.070891 0.993213 0.917634 O\n0.079554 0.833532 0.710358 O\n0.920445 0.333532 0.789642 O\n0.920445 0.166469 0.289642 O\n0.079554 0.666469 0.210358 O\n-0.000000 0.000000 0.500000 O\n",
"nsites": 22,
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"elements": [
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],
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"density": 4.830179534242341,
"density_atomic": 0.05015624149408944,
"volume": 438.6293578754809,
"volume_molar": 12.006762429975275,
"formula_full": "Sb8 Cl4 O10",
"formula_reduced": "Sb4Cl2O5",
"formula_anonymous": "A2B4C5",
"energy_above_hull": 1.932375457727273,
"spacegroup": 14
},
{
"id": "jvasp-30347",
"created_at": "2022-09-04T14:37:08.427626Z",
"updated_at": "2022-09-04T14:37:08.427642Z",
"structure_string": "Sb8 I4 O10\n1.0\n5.221482 0.000000 0.000000\n0.000000 7.097452 -0.847746\n0.000000 -0.086095 13.697760\nSb I O\n8 4 10\ndirect\n0.625650 0.182005 0.297063 Sb\n0.125650 0.817995 0.202937 Sb\n0.374350 0.817995 0.702937 Sb\n0.874349 0.182006 0.797063 Sb\n0.721934 0.835467 0.447355 Sb\n0.221935 0.164533 0.052645 Sb\n0.278065 0.164533 0.552645 Sb\n0.778065 0.835468 0.947355 Sb\n0.788901 0.504632 0.620237 I\n0.288901 0.495369 0.879763 I\n0.711099 0.504631 0.120237 I\n0.211099 0.495369 0.379763 I\n0.500000 0.000000 0.000000 O\n0.505659 0.935626 0.582759 O\n0.005659 0.064375 0.917241 O\n0.494341 0.064375 0.417242 O\n0.994341 0.935625 0.082759 O\n0.838165 0.928755 0.290572 O\n0.338165 0.071245 0.209428 O\n0.161834 0.071246 0.709428 O\n0.661834 0.928755 0.790572 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 22,
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"elements": [
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"I",
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],
"chemical_system": "I-O-Sb",
"density": 5.374290178585094,
"density_atomic": 0.043371360461234035,
"volume": 507.247173389083,
"volume_molar": 13.885063083005381,
"formula_full": "Sb8 I4 O10",
"formula_reduced": "Sb4I2O5",
"formula_anonymous": "A2B4C5",
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"spacegroup": 14
}
]
}