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{
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"results": [
{
"id": "jvasp-46798",
"created_at": "2022-09-04T14:38:09.036206Z",
"updated_at": "2022-09-04T14:38:09.036237Z",
"structure_string": "Cr5 Si4 O14\n1.0\n5.626462 -0.012913 0.017015\n-2.047842 7.056960 0.013845\n-0.101498 -3.079653 7.144890\nCr Si O\n5 4 14\ndirect\n0.000000 0.000000 0.000000 Cr\n0.077050 0.396232 0.807587 Cr\n0.650866 0.588368 0.699440 Cr\n0.349134 0.411633 0.300561 Cr\n0.922951 0.603769 0.192415 Cr\n0.499615 0.231530 0.863271 Si\n0.777703 0.211394 0.392453 Si\n0.222297 0.788607 0.607549 Si\n0.500385 0.768472 0.136730 Si\n0.459420 0.992256 0.726585 O\n0.589707 0.637417 0.244007 O\n0.997990 0.782323 0.745867 O\n0.329126 0.588710 0.566795 O\n0.677832 0.777350 0.969565 O\n0.322169 0.222651 0.030436 O\n0.540580 0.007746 0.273417 O\n0.002010 0.217679 0.254134 O\n0.410293 0.362585 0.755994 O\n0.208493 0.645783 0.045528 O\n0.791508 0.354219 0.954473 O\n0.876170 0.208740 0.585035 O\n0.670874 0.411291 0.433206 O\n0.123830 0.791262 0.414966 O\n",
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"elements": [
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"O"
],
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"density_atomic": 0.0810248709735403,
"volume": 283.8634572773456,
"volume_molar": 7.432459549323571,
"formula_full": "Cr5 Si4 O14",
"formula_reduced": "Cr5(Si2O7)2",
"formula_anonymous": "A4B5C14",
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{
"id": "jvasp-46889",
"created_at": "2022-09-04T14:38:09.141470Z",
"updated_at": "2022-09-04T14:38:09.141487Z",
"structure_string": "Li4 Ni3 O2 F6\n1.0\n5.099952 -0.004421 -0.004536\n-0.884988 -5.015197 0.004945\n-1.706288 0.270166 -5.596808\nLi Ni O F\n4 3 2 6\ndirect\n0.981899 0.261946 0.872488 Li\n0.018100 0.738053 0.127514 Li\n0.988041 0.239066 0.369444 Li\n0.011958 0.760933 0.630558 Li\n0.500000 -0.000000 0.000000 Ni\n0.501894 0.499189 0.239711 Ni\n0.498105 0.500811 0.760291 Ni\n0.725318 0.361026 0.055964 O\n0.274682 0.638973 0.944038 O\n0.231471 0.130506 0.174910 F\n0.779645 0.867525 0.310648 F\n0.760779 0.399583 0.566247 F\n0.239220 0.600417 0.433755 F\n0.768529 0.869494 0.825092 F\n0.220354 0.132475 0.689354 F\n",
"nsites": 15,
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"elements": [
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"F"
],
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"density_atomic": 0.10474417222352998,
"volume": 143.20605797513156,
"volume_molar": 5.749380258739752,
"formula_full": "Li4 Ni3 O2 F6",
"formula_reduced": "Li4Ni3(OF3)2",
"formula_anonymous": "A2B3C4D6",
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"spacegroup": 2
},
{
"id": "jvasp-35203",
"created_at": "2022-09-04T14:38:09.529033Z",
"updated_at": "2022-09-04T14:38:09.529053Z",
"structure_string": "Li8 P4 O14\n1.0\n5.489584 -0.022955 0.001954\n-0.862439 5.677765 -0.030198\n-1.308957 -2.539527 9.451671\nLi P O\n8 4 14\ndirect\n0.195451 0.894270 0.193795 Li\n0.804548 0.105731 0.806204 Li\n0.589130 0.315197 0.420234 Li\n0.410869 0.684804 0.579765 Li\n0.697810 0.760808 0.302044 Li\n0.302189 0.239193 0.697955 Li\n0.694929 0.688723 0.000133 Li\n0.305070 0.311279 -0.000134 Li\n0.968459 0.777149 0.569122 P\n0.031540 0.222852 0.430877 P\n0.833346 0.291294 0.131380 P\n0.166653 0.708707 0.868619 P\n0.057279 0.759180 0.003930 O\n0.694772 0.669325 0.485470 O\n0.305227 0.330676 0.514529 O\n0.327778 0.979284 0.875067 O\n0.672220 0.020717 0.124932 O\n0.942720 0.240821 0.996069 O\n0.043088 0.369403 0.263125 O\n0.535902 0.025091 0.247663 O\n0.353278 0.533097 0.866741 O\n0.646721 0.466904 0.133259 O\n0.956910 0.630597 0.736874 O\n0.033243 0.957053 0.345973 O\n0.464097 0.974910 0.752336 O\n0.966755 0.042948 0.654027 O\n",
"nsites": 26,
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"elements": [
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"P",
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],
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"density_atomic": 0.0884339190607398,
"volume": 294.004837466744,
"volume_molar": 6.8097635205602085,
"formula_full": "Li8 P4 O14",
"formula_reduced": "Li4P2O7",
"formula_anonymous": "A2B4C7",
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"spacegroup": 2
},
{
"id": "jvasp-47004",
"created_at": "2022-09-04T14:38:09.433986Z",
"updated_at": "2022-09-04T14:38:09.434009Z",
"structure_string": "Li5 Cr2 Fe3 O10\n1.0\n5.074119 0.041040 0.069348\n0.910919 4.936332 0.019342\n2.608726 2.080096 7.065844\nLi Cr Fe O\n5 2 3 10\ndirect\n0.503442 0.785872 0.408565 Li\n0.506858 0.607410 0.779506 Li\n0.999017 0.499267 0.500173 Li\n0.491239 0.391149 0.220808 Li\n0.494620 0.212668 0.591742 Li\n0.001893 0.901633 0.690210 Cr\n0.996184 0.096920 0.310123 Cr\n0.003182 0.689377 0.102274 Fe\n0.499023 0.999284 0.000156 Fe\n-0.005080 0.309173 0.898054 Fe\n0.223687 0.133881 0.455574 O\n0.226224 0.943335 0.846405 O\n0.774395 0.864671 0.544755 O\n0.743489 0.668182 0.941524 O\n0.254086 0.773800 0.236379 O\n0.227555 0.553957 0.663018 O\n0.770518 0.444589 0.337314 O\n0.743999 0.224761 0.763950 O\n0.254598 0.330385 0.058809 O\n0.771880 0.055220 0.153910 O\n",
"nsites": 20,
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"elements": [
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"O"
],
"chemical_system": "Cr-Fe-Li-O",
"density": 4.4049425671886295,
"density_atomic": 0.11379533877972929,
"volume": 175.75412327488638,
"volume_molar": 5.29208034755879,
"formula_full": "Li5 Cr2 Fe3 O10",
"formula_reduced": "Li5Cr2Fe3O10",
"formula_anonymous": "A2B3C5D10",
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"spacegroup": 2
},
{
"id": "jvasp-45933",
"created_at": "2022-09-04T14:38:09.502416Z",
"updated_at": "2022-09-04T14:38:09.502445Z",
"structure_string": "Li4 V3 Cr1 O8\n1.0\n5.121296 -0.017153 0.005118\n-0.812236 4.992870 0.005221\n-1.675748 -0.286139 5.595470\nLi V Cr O\n4 3 1 8\ndirect\n0.996224 0.002368 0.997869 Li\n-0.004745 0.497251 0.246524 Li\n0.004744 0.002749 0.503474 Li\n0.003774 0.497630 0.752132 Li\n0.500164 0.750784 0.133546 V\n0.500000 0.250002 0.374999 V\n0.499838 0.749216 0.616456 V\n0.500001 0.250001 0.875002 Cr\n0.730588 0.125269 0.180163 O\n0.269354 0.376445 0.065074 O\n0.742183 0.620814 0.435751 O\n0.257816 0.879188 0.314250 O\n0.730645 0.123556 0.684925 O\n0.269411 0.374732 0.569839 O\n0.722684 0.620217 0.930509 O\n0.277315 0.879783 0.819492 O\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Cr-Li-O-V",
"density": 4.185652351579351,
"density_atomic": 0.11184913915797486,
"volume": 143.0498269405697,
"volume_molar": 5.3841637095609425,
"formula_full": "Li4 V3 Cr1 O8",
"formula_reduced": "Li4V3CrO8",
"formula_anonymous": "AB3C4D8",
"energy_above_hull": 2.96559175,
"spacegroup": 2
},
{
"id": "jvasp-46267",
"created_at": "2022-09-04T14:38:09.562659Z",
"updated_at": "2022-09-04T14:38:09.562684Z",
"structure_string": "Li8 Cr2 O8\n1.0\n-5.131995 -0.025269 0.024443\n1.951163 4.795088 -0.010414\n-0.923462 -2.376685 -7.207075\nLi Cr O\n8 2 8\ndirect\n0.741477 0.239952 0.004668 Li\n0.218021 0.395019 0.209464 Li\n0.252717 0.914748 0.417718 Li\n0.759366 0.492851 0.437838 Li\n0.240634 0.507150 0.562161 Li\n0.747282 0.085253 0.582281 Li\n0.781979 0.604982 0.790535 Li\n0.258523 0.760049 0.995331 Li\n0.219028 0.161422 0.775918 Cr\n0.780971 0.838579 0.224082 Cr\n0.660252 0.839530 0.018217 O\n0.001022 0.630252 0.194475 O\n0.516471 0.699546 0.384330 O\n0.969932 0.197580 0.374646 O\n0.030067 0.802421 0.625353 O\n0.483529 0.300455 0.615670 O\n-0.001021 0.369749 0.805524 O\n0.339748 0.160471 0.981782 O\n",
"nsites": 18,
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"elements": [
"Li",
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],
"chemical_system": "Cr-Li-O",
"density": 2.6955099717664797,
"density_atomic": 0.10162562720476155,
"volume": 177.1206780720034,
"volume_molar": 5.925809193645833,
"formula_full": "Li8 Cr2 O8",
"formula_reduced": "Li4CrO4",
"formula_anonymous": "AB4C4",
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"spacegroup": 2
},
{
"id": "jvasp-44250",
"created_at": "2022-09-04T14:38:09.565488Z",
"updated_at": "2022-09-04T14:38:09.565508Z",
"structure_string": "Fe6 O4 F8\n1.0\n4.719128 0.023225 0.001694\n-0.041502 5.619021 -0.034219\n-0.046560 -0.575301 7.731181\nFe O F\n6 4 8\ndirect\n0.457332 0.664508 0.186869 Fe\n0.542669 0.335493 0.813131 Fe\n0.500000 0.000001 0.500000 Fe\n0.998643 0.144428 0.137255 Fe\n0.000000 0.500000 0.500000 Fe\n0.001358 0.855573 0.862744 Fe\n0.797959 0.142469 0.925431 O\n0.703141 0.298723 0.589236 O\n0.202042 0.857532 0.074568 O\n0.296860 0.701278 0.410763 O\n0.800372 0.800777 0.618159 F\n0.199629 0.199224 0.381841 F\n0.200314 0.544527 0.744723 F\n0.290629 0.042803 0.730103 F\n0.310469 0.361363 0.055037 F\n0.709372 0.957197 0.269896 F\n0.689532 0.638638 0.944963 F\n0.799687 0.455474 0.255276 F\n",
"nsites": 18,
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"elements": [
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],
"chemical_system": "F-Fe-O",
"density": 4.465351065057879,
"density_atomic": 0.08783835754617397,
"volume": 204.92186446607843,
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"formula_full": "Fe6 O4 F8",
"formula_reduced": "Fe3(OF2)2",
"formula_anonymous": "A2B3C4",
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},
{
"id": "jvasp-26762",
"created_at": "2022-09-04T14:38:09.833288Z",
"updated_at": "2022-09-04T14:38:09.833321Z",
"structure_string": "Na4 P4 Pb2 O14\n1.0\n5.518527 -0.037081 0.038553\n-2.246913 6.583789 -0.001542\n-1.049652 -3.124411 8.826472\nNa P Pb O\n4 4 2 14\ndirect\n0.352517 0.625554 0.770747 Na\n0.083342 0.281106 0.998830 Na\n0.916660 0.718894 0.001170 Na\n0.647484 0.374446 0.229253 Na\n0.479859 0.859460 0.155529 P\n0.746465 0.359024 0.637249 P\n0.253537 0.640976 0.362750 P\n0.520142 0.140540 0.844471 P\n0.866210 0.870986 0.626825 Pb\n0.133791 0.129014 0.373175 Pb\n0.768423 0.970797 0.153375 O\n0.984059 0.300924 0.673961 O\n0.669496 0.348175 0.976067 O\n0.498100 0.800834 0.313694 O\n0.330506 0.651825 0.023933 O\n0.785460 0.589496 0.737534 O\n0.501901 0.199166 0.686306 O\n0.330729 0.014337 0.172964 O\n0.231578 0.029203 0.846624 O\n0.015943 0.699076 0.326039 O\n0.214541 0.410504 0.262465 O\n0.349946 0.682324 0.529801 O\n0.650055 0.317676 0.470199 O\n0.669273 0.985663 0.827035 O\n",
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"elements": [
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],
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"density_atomic": 0.07489102742333283,
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"formula_full": "Na4 P4 Pb2 O14",
"formula_reduced": "Na2P2PbO7",
"formula_anonymous": "AB2C2D7",
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},
{
"id": "jvasp-46315",
"created_at": "2022-09-04T14:38:09.685254Z",
"updated_at": "2022-09-04T14:38:09.685273Z",
"structure_string": "Li8 Fe2 O8\n1.0\n-5.206470 -0.127989 -0.199660\n1.891316 5.136684 -0.117818\n-0.422023 -1.868760 -6.441440\nLi Fe O\n8 2 8\ndirect\n0.252607 0.799427 0.677908 Li\n0.760892 0.859958 0.517142 Li\n0.749244 0.921361 0.973164 Li\n0.827833 0.582132 0.165064 Li\n0.172166 0.417867 0.834936 Li\n0.250754 0.078638 0.026837 Li\n0.239106 0.140041 0.482858 Li\n0.747391 0.200573 0.322092 Li\n0.712960 0.451245 0.732791 Fe\n0.287038 0.548754 0.267209 Fe\n0.600351 0.816626 0.238650 O\n0.084776 0.745694 0.410357 O\n0.009696 0.296448 0.098290 O\n0.455031 0.315159 0.273828 O\n0.544968 0.684840 0.726172 O\n0.990302 0.703552 0.901710 O\n0.915223 0.254305 0.589644 O\n0.399647 0.183374 0.761350 O\n",
"nsites": 18,
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"elements": [
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],
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"density": 2.848033045777127,
"density_atomic": 0.104576152469169,
"volume": 172.12337205948302,
"volume_molar": 5.758617636822544,
"formula_full": "Li8 Fe2 O8",
"formula_reduced": "Li4FeO4",
"formula_anonymous": "AB4C4",
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"spacegroup": 2
},
{
"id": "jvasp-9305",
"created_at": "2022-09-04T14:38:10.128923Z",
"updated_at": "2022-09-04T14:38:10.128944Z",
"structure_string": "Y1 V1 W2 O8\n1.0\n5.040507 -0.013617 -0.047999\n-1.759270 5.348306 0.000479\n-0.213103 -1.842968 5.615136\nY V W O\n1 1 2 8\ndirect\n0.475318 0.099850 0.723381 Y\n0.975061 0.099284 0.222850 V\n0.727805 0.585522 0.395534 W\n0.222785 0.613722 0.051140 W\n0.687688 0.807292 0.669556 O\n0.762299 0.305595 0.489358 O\n0.619655 0.791493 0.179901 O\n0.836371 0.368065 0.059025 O\n0.187972 0.894146 0.957764 O\n0.260972 0.391602 0.776530 O\n0.330667 0.408458 0.265565 O\n0.113512 0.831068 0.387898 O\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "O-V-W-Y",
"density": 6.987261878734671,
"density_atomic": 0.07945261657562946,
"volume": 151.03341484767117,
"volume_molar": 7.579537363967915,
"formula_full": "Y1 V1 W2 O8",
"formula_reduced": "YV(WO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 4.098374804166666,
"spacegroup": 2
},
{
"id": "jvasp-9498",
"created_at": "2022-09-04T14:38:10.040743Z",
"updated_at": "2022-09-04T14:38:10.040757Z",
"structure_string": "Zn2 Si2 Ni2 O10\n1.0\n5.066200 -0.236604 0.058118\n-1.353799 5.142135 -0.011580\n-1.676635 -2.311354 6.202952\nZn Si Ni O\n2 2 2 10\ndirect\n0.344044 0.197522 0.789458 Zn\n0.664438 0.792301 0.239638 Zn\n0.691100 0.810744 0.748488 Si\n0.317392 0.179102 0.280622 Si\n0.004249 0.494922 0.514555 Ni\n0.004251 0.494925 0.014554 Ni\n0.715263 0.641568 0.921038 O\n0.972635 0.840854 0.657608 O\n0.293234 0.348280 0.108074 O\n0.035860 0.148990 0.371504 O\n0.616349 0.295101 0.486741 O\n0.305115 0.861201 0.148821 O\n0.392150 0.694758 0.542371 O\n0.703386 0.128646 0.880289 O\n0.871412 0.535143 0.253490 O\n0.137100 0.454710 0.775618 O\n",
"nsites": 16,
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"elements": [
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],
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"density": 4.814903504382221,
"density_atomic": 0.09990667492753373,
"volume": 160.1494595992253,
"volume_molar": 6.027766177152926,
"formula_full": "Zn2 Si2 Ni2 O10",
"formula_reduced": "ZnSiNiO5",
"formula_anonymous": "ABCD5",
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"spacegroup": 2
},
{
"id": "jvasp-29712",
"created_at": "2022-09-04T14:38:10.099691Z",
"updated_at": "2022-09-04T14:38:10.099724Z",
"structure_string": "Re6 Se8 Cl2\n1.0\n6.281359 0.000149 2.262758\n-0.095783 6.541639 1.541640\n0.024487 0.007454 8.911710\nRe Se Cl\n6 8 2\ndirect\n0.893054 0.754403 0.536674 Re\n0.840683 0.371144 0.718465 Re\n0.159318 0.628856 0.281535 Re\n0.773897 0.462202 0.430397 Re\n0.106947 0.245597 0.463326 Re\n0.226104 0.537798 0.569603 Re\n0.829703 0.828220 0.262699 Se\n0.170298 0.171779 0.737301 Se\n0.523014 0.593304 0.690962 Se\n0.713005 0.100175 0.608145 Se\n0.286996 0.899825 0.391855 Se\n0.476987 0.406695 0.309038 Se\n0.041576 0.338411 0.189330 Se\n0.958425 0.661589 0.810670 Se\n0.358466 0.791515 0.009620 Cl\n0.641535 0.208484 0.990380 Cl\n",
"nsites": 16,
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"elements": [
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"Se",
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],
"chemical_system": "Cl-Re-Se",
"density": 8.262200983850352,
"density_atomic": 0.0437457934084777,
"volume": 365.7494527667953,
"volume_molar": 13.76621679659133,
"formula_full": "Re6 Se8 Cl2",
"formula_reduced": "Re3Se4Cl",
"formula_anonymous": "AB3C4",
"energy_above_hull": 3.7986164417708337,
"spacegroup": 2
}
]
}