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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=700",
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"results": [
{
"id": "jvasp-13061",
"created_at": "2022-09-04T14:36:50.586321Z",
"updated_at": "2022-09-04T14:36:50.586340Z",
"structure_string": "Bi6 Se8 Br2\n1.0\n4.116838 -0.000000 -0.000000\n-2.058418 9.426982 -4.425897\n-0.000000 0.014800 12.142934\nBi Se Br\n6 8 2\ndirect\n0.089751 0.179502 0.965991 Bi\n0.910249 0.820498 0.034009 Bi\n0.673508 0.347015 0.738315 Bi\n0.326492 0.652984 0.261684 Bi\n0.148512 0.297026 0.410324 Bi\n0.851488 0.702974 0.589675 Bi\n0.417876 0.835753 0.511174 Se\n0.582124 0.164247 0.488825 Se\n0.689721 0.379442 0.023511 Se\n0.310279 0.620558 0.976489 Se\n0.074745 0.149491 0.726625 Se\n0.925255 0.850509 0.273374 Se\n0.254307 0.508614 0.643819 Se\n0.745693 0.491386 0.356180 Se\n0.455149 0.910298 0.834834 Br\n0.544851 0.089702 0.165166 Br\n",
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"elements": [
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{
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"created_at": "2022-09-04T14:38:43.371030Z",
"updated_at": "2022-09-04T14:38:43.371060Z",
"structure_string": "Bi3 Te4 Cl5 O10\n1.0\n7.895149 -0.012798 0.973941\n6.837923 3.946688 0.973941\n-0.127023 -0.033917 13.261207\nBi Te Cl O\n3 4 5 10\ndirect\n0.000000 0.000000 0.000000 Bi\n0.783165 0.783163 0.809241 Bi\n0.216836 0.216836 0.190759 Bi\n0.160352 0.160351 0.494643 Te\n0.839649 0.839648 0.505357 Te\n0.474345 0.474344 0.770027 Te\n0.525656 0.525655 0.229973 Te\n0.823274 0.823274 0.026658 Cl\n0.500001 0.499999 0.500000 Cl\n0.176727 0.176725 0.973342 Cl\n0.155596 0.155595 0.722816 Cl\n0.844405 0.844404 0.277184 Cl\n0.056885 0.056884 0.193513 O\n0.292924 0.292923 0.498485 O\n0.707077 0.707076 0.501515 O\n0.160488 0.160487 0.354395 O\n0.839514 0.839512 0.645605 O\n0.347784 0.347782 0.805900 O\n0.652217 0.652217 0.194100 O\n0.514648 0.514646 0.899656 O\n0.485353 0.485353 0.100344 O\n0.943117 0.943115 0.806487 O\n",
"nsites": 22,
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"elements": [
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"O"
],
"chemical_system": "Bi-Cl-O-Te",
"density": 5.901733068191151,
"density_atomic": 0.05302477784088681,
"volume": 414.90037103061746,
"volume_molar": 11.357220162375475,
"formula_full": "Bi3 Te4 Cl5 O10",
"formula_reduced": "Bi3Te4(ClO2)5",
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"spacegroup": 12
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{
"id": "jvasp-102347",
"created_at": "2022-09-04T14:36:39.606886Z",
"updated_at": "2022-09-04T14:36:39.606904Z",
"structure_string": "Bi3 Te5 Pb1\n1.0\n4.621625 -0.000000 0.000000\n-2.310812 4.002445 0.000000\n-0.000000 0.000000 17.276804\nBi Te Pb\n3 5 1\ndirect\n0.666666 0.333333 0.000648 Bi\n0.000000 0.000000 0.778232 Bi\n0.333333 0.666666 0.219662 Bi\n0.000000 0.000000 0.106840 Te\n0.333333 0.666666 0.900745 Te\n0.333333 0.666666 0.542075 Te\n0.666666 0.333333 0.313628 Te\n0.666666 0.333333 0.687337 Te\n0.000000 0.000000 0.450832 Pb\n",
"nsites": 9,
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"elements": [
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"chemical_system": "Bi-Pb-Te",
"density": 7.649183540174215,
"density_atomic": 0.028161710299617195,
"volume": 319.5828628392054,
"volume_molar": 21.384144272238533,
"formula_full": "Bi3 Te5 Pb1",
"formula_reduced": "Bi3Te5Pb",
"formula_anonymous": "AB3C5",
"energy_above_hull": 0.963990283703704,
"spacegroup": 156
},
{
"id": "jvasp-101068",
"created_at": "2022-09-04T14:37:02.423614Z",
"updated_at": "2022-09-04T14:37:02.423637Z",
"structure_string": "Bi8 Au2\n1.0\n6.777281 -0.000000 3.912865\n2.259094 6.389682 3.912865\n-0.000000 -0.000000 7.825730\nBi Au\n8 2\ndirect\n0.398151 0.398151 0.398152 Bi\n0.398151 0.398151 0.805548 Bi\n0.398151 0.805548 0.398152 Bi\n0.851848 0.851849 0.444454 Bi\n0.851848 0.851849 0.851850 Bi\n0.805547 0.398151 0.398152 Bi\n0.851849 0.444453 0.851850 Bi\n0.444451 0.851849 0.851850 Bi\n0.000000 0.000000 0.000000 Au\n0.250000 0.250000 0.250000 Au\n",
"nsites": 10,
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"elements": [
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"density_atomic": 0.029508042644478708,
"volume": 338.8906584039763,
"volume_molar": 20.40847247157823,
"formula_full": "Bi8 Au2",
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"spacegroup": 227
},
{
"id": "jvasp-50837",
"created_at": "2022-09-04T14:37:03.346978Z",
"updated_at": "2022-09-04T14:37:03.346998Z",
"structure_string": "Bi4 O3 F7\n1.0\n0.000000 5.755718 -0.030141\n3.929774 0.000000 0.000000\n0.000000 -0.122719 -8.356076\nBi O F\n4 3 7\ndirect\n0.771461 0.499999 0.118995 Bi\n0.768923 0.499999 0.627631 Bi\n0.257185 0.000000 0.379229 Bi\n0.199092 0.000000 0.876553 Bi\n0.946253 0.499999 0.875124 O\n0.030133 0.000000 0.121257 O\n0.028557 0.000000 0.630244 O\n0.976182 0.499999 0.374799 F\n0.374934 0.499999 0.229885 F\n0.362004 0.499999 0.541624 F\n0.416009 0.499999 0.886196 F\n0.559082 0.000000 0.051933 F\n0.654860 0.000000 0.392595 F\n0.568926 0.000000 0.720285 F\n",
"nsites": 14,
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"elements": [
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"density_atomic": 0.07406707132848385,
"volume": 189.0178691946747,
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"formula_full": "Bi4 O3 F7",
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"formula_anonymous": "A3B4C7",
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"spacegroup": 6
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{
"id": "jvasp-113117",
"created_at": "2022-09-04T14:38:44.628210Z",
"updated_at": "2022-09-04T14:38:44.628232Z",
"structure_string": "Bi8 O10\n1.0\n7.944347 0.071019 0.733977\n-0.683026 7.915249 0.733977\n0.153233 0.168531 5.459885\nBi O\n8 10\ndirect\n0.727992 0.060201 0.758826 Bi\n0.742524 0.548773 0.775259 Bi\n0.215660 -0.032954 0.744460 Bi\n0.270120 0.461450 0.741746 Bi\n0.461450 0.270121 0.241745 Bi\n-0.032954 0.215660 0.244460 Bi\n0.548773 0.742524 0.275258 Bi\n0.060201 0.727992 0.258825 Bi\n0.200640 0.350474 0.407830 O\n0.350474 0.200640 0.907830 O\n0.283529 0.726528 0.517232 O\n0.803412 0.672711 0.097922 O\n0.525223 0.483986 0.509133 O\n0.049416 0.969311 0.414602 O\n0.969311 0.049416 0.914603 O\n0.726528 0.283530 0.017231 O\n0.483986 0.525223 0.009133 O\n0.672711 0.803412 0.597923 O\n",
"nsites": 18,
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"elements": [
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"chemical_system": "Bi-O",
"density": 8.903604559254115,
"density_atomic": 0.05268686971873045,
"volume": 341.6410976035061,
"volume_molar": 11.430059884273405,
"formula_full": "Bi8 O10",
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"formula_anonymous": "A4B5",
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"spacegroup": 9
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{
"id": "jvasp-59101",
"created_at": "2022-09-04T14:38:27.644121Z",
"updated_at": "2022-09-04T14:38:27.644156Z",
"structure_string": "Bi8 O14\n1.0\n-6.782835 0.060272 -0.011738\n1.384500 6.798298 0.013542\n-0.104748 -2.330998 -7.567048\nBi O\n8 14\ndirect\n0.000000 -0.000000 0.500000 Bi\n0.471350 0.998462 0.255190 Bi\n0.528651 0.001538 0.744811 Bi\n0.000000 0.000000 0.000000 Bi\n0.262916 0.521605 0.882565 Bi\n0.737085 0.478395 0.117436 Bi\n0.729901 0.493685 0.616902 Bi\n0.270100 0.506314 0.383098 Bi\n0.896708 0.675636 0.372687 O\n0.103293 0.324364 0.627313 O\n0.086183 0.324754 0.035920 O\n0.913818 0.675246 0.964080 O\n0.468598 0.650502 0.640135 O\n0.531402 0.349497 0.359866 O\n0.295011 0.944548 0.945070 O\n0.287001 0.913669 0.516287 O\n0.704990 0.055452 0.054931 O\n0.885178 0.909874 0.726865 O\n0.535428 0.368276 0.817306 O\n0.464573 0.631724 0.182695 O\n0.713000 0.086331 0.483714 O\n0.114823 0.090126 0.273135 O\n",
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"volume": 349.3764738567053,
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"formula_full": "Bi8 O14",
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"spacegroup": 2
},
{
"id": "jvasp-18487",
"created_at": "2022-09-04T14:36:57.149150Z",
"updated_at": "2022-09-04T14:36:57.149175Z",
"structure_string": "Bi4 Te3\n1.0\n4.465191 0.007913 13.755545\n2.183262 3.895043 13.755545\n0.013480 0.007913 14.462114\nBi Te\n4 3\ndirect\n0.286168 0.286167 0.286168 Bi\n0.713833 0.713830 0.713833 Bi\n0.147082 0.147082 0.147082 Bi\n0.852919 0.852916 0.852919 Bi\n0.000000 0.000000 0.000000 Te\n0.579288 0.579286 0.579288 Te\n0.420713 0.420712 0.420713 Te\n",
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"density": 8.084988667429762,
"density_atomic": 0.027965581204571172,
"volume": 250.30768889780128,
"volume_molar": 21.534116226469266,
"formula_full": "Bi4 Te3",
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"formula_anonymous": "A3B4",
"energy_above_hull": 1.008738642857143,
"spacegroup": 166
},
{
"id": "jvasp-119516",
"created_at": "2022-09-04T14:38:34.639035Z",
"updated_at": "2022-09-04T14:38:34.639062Z",
"structure_string": "Bi8 Te6 N4\n1.0\n7.666064 -0.000000 0.000000\n0.000000 16.397955 0.000000\n0.000000 0.000000 4.115547\nBi Te N\n8 6 4\ndirect\n0.691233 0.937428 0.500000 Bi\n0.308766 0.062571 0.500000 Bi\n0.191234 0.562571 -0.000000 Bi\n0.808766 0.437428 -0.000000 Bi\n0.792122 0.642141 0.500000 Bi\n0.207877 0.357859 0.500000 Bi\n0.292123 0.857859 -0.000000 Bi\n0.707877 0.142141 -0.000000 Bi\n0.656573 0.780573 -0.000000 Te\n0.343427 0.219427 -0.000000 Te\n0.156573 0.719427 0.500000 Te\n0.500000 0.500000 0.500000 Te\n0.000000 0.000000 0.000000 Te\n0.843427 0.280573 0.500000 Te\n0.110246 0.426272 -0.000000 N\n0.610246 0.073728 0.500000 N\n0.389753 0.926272 0.500000 N\n0.889753 0.573728 -0.000000 N\n",
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"volume": 517.3562459854359,
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"formula_full": "Bi8 Te6 N4",
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"formula_anonymous": "A2B3C4",
"energy_above_hull": 2.211553,
"spacegroup": 58
},
{
"id": "jvasp-12475",
"created_at": "2022-09-04T14:38:12.909421Z",
"updated_at": "2022-09-04T14:38:12.909441Z",
"structure_string": "Bi4 Te7 Pb1\n1.0\n2.238824 -3.877755 0.000000\n2.238824 3.877755 -0.000000\n-0.000000 0.000000 24.574039\nBi Te Pb\n4 7 1\ndirect\n0.666666 0.333332 0.416931 Bi\n0.333332 0.666666 0.836608 Bi\n0.666666 0.333332 0.163392 Bi\n0.333332 0.666666 0.583069 Bi\n0.000000 0.000000 0.500000 Te\n0.333332 0.666666 0.346995 Te\n0.666666 0.333332 0.653005 Te\n0.000000 0.000000 0.232842 Te\n0.000000 0.000000 0.767158 Te\n0.666666 0.333332 0.919912 Te\n0.333332 0.666666 0.080088 Te\n0.000000 0.000000 0.000000 Pb\n",
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"density": 7.535632810218458,
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"formula_full": "Bi4 Te7 Pb1",
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"formula_anonymous": "AB4C7",
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"spacegroup": 164
},
{
"id": "jvasp-101230",
"created_at": "2022-09-04T14:36:40.642886Z",
"updated_at": "2022-09-04T14:36:40.642909Z",
"structure_string": "Bi4 Te3 S3\n1.0\n4.177336 -0.022054 19.500154\n2.046494 3.641770 19.500154\n-0.037920 -0.022054 19.942535\nBi Te S\n4 3 3\ndirect\n0.800927 0.800929 0.800927 Bi\n0.307248 0.307249 0.307248 Bi\n0.700538 0.700540 0.700538 Bi\n0.194000 0.194000 0.194000 Bi\n0.891614 0.891617 0.891614 Te\n0.103679 0.103679 0.103679 Te\n0.609751 0.609753 0.609751 Te\n0.004088 0.004088 0.004088 S\n0.498000 0.498002 0.498001 S\n0.390151 0.390152 0.390151 S\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Bi-S-Te",
"density": 7.091275842743728,
"density_atomic": 0.032477087374019144,
"volume": 307.90938500229396,
"volume_molar": 18.54273657808847,
"formula_full": "Bi4 Te3 S3",
"formula_reduced": "Bi4(TeS)3",
"formula_anonymous": "A3B3C4",
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"spacegroup": 160
},
{
"id": "jvasp-123787",
"created_at": "2022-09-04T14:38:55.509115Z",
"updated_at": "2022-09-04T14:38:55.509134Z",
"structure_string": "Bi5 Br1\n1.0\n2.154174 -3.731146 0.000000\n2.154174 3.731146 -0.000000\n0.000000 0.000000 12.902652\nBi Br\n5 1\ndirect\n0.666666 0.333332 0.073437 Bi\n0.666666 0.333332 0.575857 Bi\n0.333332 0.666666 0.426563 Bi\n0.333332 0.666666 0.924143 Bi\n0.000000 0.000000 0.749986 Bi\n0.000000 0.000000 0.250015 Br\n",
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"elements": [
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"density": 9.005228122775225,
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"volume": 207.41110384780202,
"volume_molar": 20.817647709307362,
"formula_full": "Bi5 Br1",
"formula_reduced": "Bi5Br",
"formula_anonymous": "AB5",
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"spacegroup": 164
}
]
}