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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4607",
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"results": [
{
"id": "jvasp-109824",
"created_at": "2022-09-04T14:38:20.197384Z",
"updated_at": "2022-09-04T14:38:20.197398Z",
"structure_string": "Li3 V1 O3 F2\n1.0\n3.660295 -0.002281 -0.031646\n1.849956 4.071917 2.632490\n0.017658 0.702204 6.447686\nLi V O F\n3 1 3 2\ndirect\n0.145023 0.705704 0.553394 Li\n0.677682 0.644027 0.914674 Li\n0.810663 0.368306 0.419070 Li\n0.013842 0.021146 0.969830 V\n0.065042 0.863631 0.795252 O\n0.523426 0.944619 0.045659 O\n0.766122 0.468540 0.715935 O\n0.234657 0.520272 0.361813 F\n0.909817 0.171228 0.230627 F\n",
"nsites": 9,
"nelements": 4,
"elements": [
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"V",
"O",
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],
"chemical_system": "F-Li-O-V",
"density": 2.9328564844719756,
"density_atomic": 0.10076012209192209,
"volume": 89.32105095892423,
"volume_molar": 5.976710463397496,
"formula_full": "Li3 V1 O3 F2",
"formula_reduced": "Li3VO3F2",
"formula_anonymous": "AB2C3D3",
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"spacegroup": 1
},
{
"id": "jvasp-117307",
"created_at": "2022-09-04T14:38:26.115167Z",
"updated_at": "2022-09-04T14:38:26.115193Z",
"structure_string": "Tc1 Cl6 O6\n1.0\n5.234097 -0.500147 2.758365\n-0.188394 6.035822 1.207440\n-0.309646 0.214372 8.446478\nTc Cl O\n1 6 6\ndirect\n0.001983 0.953655 0.003931 Tc\n0.320357 0.943880 0.728613 Cl\n0.681194 0.953710 0.281598 Cl\n0.936843 0.304704 0.880127 Cl\n0.714507 0.788872 0.935440 Cl\n0.291102 0.116199 0.072006 Cl\n0.073836 0.604510 0.127997 Cl\n0.267806 0.345247 0.427105 O\n0.485522 0.417555 0.312170 O\n0.543738 0.500680 0.645120 O\n0.697944 0.366697 0.603697 O\n-0.037083 0.920757 0.510134 O\n0.086254 0.761529 0.491064 O\n",
"nsites": 13,
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"elements": [
"Tc",
"Cl",
"O"
],
"chemical_system": "Cl-O-Tc",
"density": 2.502075107342663,
"density_atomic": 0.04816205927754655,
"volume": 269.92201319889745,
"volume_molar": 12.50391044389491,
"formula_full": "Tc1 Cl6 O6",
"formula_reduced": "Tc(ClO)6",
"formula_anonymous": "AB6C6",
"energy_above_hull": 1.9199951465384613,
"spacegroup": 1
},
{
"id": "jvasp-117294",
"created_at": "2022-09-04T14:38:26.106573Z",
"updated_at": "2022-09-04T14:38:26.106583Z",
"structure_string": "Li3 Mn2 P2 C2 O14\n1.0\n4.956982 -0.168591 -0.412461\n-0.260954 6.130285 -0.467696\n-0.069804 -0.473766 8.478466\nLi Mn P C O\n3 2 2 2 14\ndirect\n0.736686 0.542839 0.242719 Li\n0.201694 0.526933 0.816034 Li\n0.362840 0.006222 0.778845 Li\n0.182539 0.225835 0.329148 Mn\n0.796360 0.762020 0.649726 Mn\n0.278149 0.754267 0.419510 P\n0.717508 0.242781 0.564486 P\n0.255296 0.255332 0.060478 C\n0.741391 0.741475 0.937610 C\n0.522847 0.732840 0.835826 O\n0.873127 0.455243 0.654227 O\n0.717153 0.069627 0.681343 O\n0.176789 0.836350 0.581166 O\n0.416561 0.286643 0.522399 O\n0.583075 0.705158 0.444791 O\n0.447948 0.291544 0.181054 O\n0.109467 0.538319 0.341568 O\n0.249434 0.923788 0.301041 O\n0.293662 0.271390 0.918048 O\n0.745017 0.705373 0.076712 O\n0.021196 0.200909 0.109930 O\n0.850410 0.162818 0.412589 O\n0.966767 0.788480 0.867810 O\n",
"nsites": 23,
"nelements": 5,
"elements": [
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"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-O-P",
"density": 2.8590356569433752,
"density_atomic": 0.08986592742492798,
"volume": 255.936823433038,
"volume_molar": 6.701250332091397,
"formula_full": "Li3 Mn2 P2 C2 O14",
"formula_reduced": "Li3Mn2P2(CO7)2",
"formula_anonymous": "A2B2C2D3E14",
"energy_above_hull": 3.3628636731634183,
"spacegroup": 1
},
{
"id": "jvasp-117451",
"created_at": "2022-09-04T14:38:26.489519Z",
"updated_at": "2022-09-04T14:38:26.489529Z",
"structure_string": "Ni6 O2 F10\n1.0\n5.229880 0.065591 1.625529\n1.254914 5.173113 1.692006\n-0.064059 0.044904 7.148404\nNi O F\n6 2 10\ndirect\n0.333260 0.356285 0.159730 Ni\n0.324988 0.333312 0.664721 Ni\n0.678980 0.685091 0.335695 Ni\n0.642101 0.668128 0.843824 Ni\n0.994731 0.991233 0.486914 Ni\n0.021494 0.975229 0.013123 Ni\n0.926534 0.879289 0.291034 O\n0.293060 0.687342 -0.016057 O\n0.623056 0.022530 0.648815 F\n0.583551 0.542040 0.634821 F\n0.263638 0.208020 0.964386 F\n0.739201 0.789659 0.034257 F\n0.371454 0.989960 0.347180 F\n0.077317 0.106497 0.707063 F\n0.023372 0.639745 0.681400 F\n0.963281 0.360725 0.321249 F\n0.419400 0.467616 0.366477 F\n0.720581 0.297289 0.015372 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
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],
"chemical_system": "F-Ni-O",
"density": 4.9389149367619805,
"density_atomic": 0.09324696477485629,
"volume": 193.03577380197618,
"volume_molar": 6.458270008616782,
"formula_full": "Ni6 O2 F10",
"formula_reduced": "Ni3OF5",
"formula_anonymous": "AB3C5",
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},
{
"id": "jvasp-117317",
"created_at": "2022-09-04T14:38:26.194921Z",
"updated_at": "2022-09-04T14:38:26.194950Z",
"structure_string": "Na3 Li3 Fe2 P2 C2 O14\n1.0\n4.974316 0.014603 0.256521\n0.080674 6.622617 0.168338\n0.011212 0.088031 8.704847\nNa Li Fe P C O\n3 3 2 2 2 14\ndirect\n0.739532 0.991626 0.743948 Na\n0.742977 0.492538 0.753983 Na\n0.261116 0.507491 0.245393 Na\n0.215210 0.754720 0.891899 Li\n0.263701 0.021621 0.272211 Li\n0.765232 0.224791 0.104984 Li\n0.228769 0.248750 0.640134 Fe\n0.789352 0.763145 0.352543 Fe\n0.728622 0.251976 0.405273 P\n0.290286 0.751033 0.587749 P\n0.275068 0.236226 0.956248 C\n0.699167 0.759873 0.050797 C\n0.538284 0.791748 0.171833 O\n0.856835 0.080439 0.306219 O\n0.784382 0.448680 0.307333 O\n0.417975 0.219312 0.425929 O\n0.173718 0.762567 0.426441 O\n0.842911 0.255128 0.566640 O\n0.596356 0.738438 0.919130 O\n0.201705 0.559663 0.684761 O\n0.195092 0.928667 0.690562 O\n0.446372 0.235180 0.837125 O\n0.020231 0.243492 0.933829 O\n0.956311 0.750280 0.066104 O\n0.603108 0.751646 0.566004 O\n0.367686 0.230966 0.092934 O\n",
"nsites": 26,
"nelements": 6,
"elements": [
"Na",
"Li",
"Fe",
"P",
"C",
"O"
],
"chemical_system": "C-Fe-Li-Na-O-P",
"density": 2.962615444500976,
"density_atomic": 0.09069898708509598,
"volume": 286.6625178030508,
"volume_molar": 6.639700126253761,
"formula_full": "Na3 Li3 Fe2 P2 C2 O14",
"formula_reduced": "Na3Li3Fe2P2(CO7)2",
"formula_anonymous": "A2B2C2D3E3F14",
"energy_above_hull": 2.8074183846153846,
"spacegroup": 1
},
{
"id": "jvasp-112283",
"created_at": "2022-09-04T14:38:26.233886Z",
"updated_at": "2022-09-04T14:38:26.233902Z",
"structure_string": "Mn6 O2 F10\n1.0\n4.811764 0.006439 0.120790\n0.211590 5.763234 0.319873\n0.000468 -0.035931 8.062701\nMn O F\n6 2 10\ndirect\n0.515677 0.493152 0.993672 Mn\n0.494834 0.168487 0.335289 Mn\n0.516894 0.820582 0.660541 Mn\n0.981580 0.667551 0.347907 Mn\n0.973794 0.347401 0.677011 Mn\n0.995167 0.015467 0.991154 Mn\n0.798913 0.613523 0.574198 O\n0.808095 0.301842 0.888637 O\n0.190846 0.354546 0.456074 F\n0.301008 0.204200 0.102000 F\n0.299790 0.550961 0.771384 F\n0.307398 0.858317 0.428407 F\n0.806942 0.968982 0.229110 F\n0.695445 0.467253 0.231767 F\n0.693177 0.806599 0.903140 F\n0.212010 0.049117 0.749718 F\n0.710906 0.108915 0.559496 F\n0.197516 0.703105 0.100491 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.0958807996285715,
"density_atomic": 0.08048921991443812,
"volume": 223.63243200933505,
"volume_molar": 7.48192213367414,
"formula_full": "Mn6 O2 F10",
"formula_reduced": "Mn3OF5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 1.6341874040708813,
"spacegroup": 1
},
{
"id": "jvasp-117298",
"created_at": "2022-09-04T14:38:26.288360Z",
"updated_at": "2022-09-04T14:38:26.288379Z",
"structure_string": "Mn8 O13 F3\n1.0\n4.350009 0.002833 0.111421\n0.149179 7.237353 0.790662\n-0.046168 0.026119 7.282996\nMn O F\n8 13 3\ndirect\n0.501560 0.698428 0.949784 Mn\n0.520334 0.292406 0.063940 Mn\n0.483664 0.185078 0.445167 Mn\n0.499307 0.801154 0.554985 Mn\n0.018385 0.950336 0.208211 Mn\n0.010171 0.562003 0.292867 Mn\n0.991035 0.454085 0.694441 Mn\n0.013678 0.062293 0.793516 Mn\n0.766957 0.770192 0.347680 O\n0.761227 0.268955 0.846118 O\n0.728991 0.017030 0.599593 O\n0.737234 0.517699 0.098531 O\n0.724436 0.649071 0.731555 O\n0.743334 0.148831 0.239672 O\n0.229376 0.599816 0.514097 O\n0.265352 0.979871 0.403966 O\n0.263554 0.346510 0.268395 O\n0.227224 0.234271 0.642855 O\n0.233770 0.733199 0.150756 O\n0.242826 0.097591 0.020451 O\n0.262073 0.850593 0.770228 O\n0.744701 0.400620 0.469147 F\n0.257142 0.466200 0.908827 F\n0.773669 0.913762 0.985224 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
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"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 5.103285812226183,
"density_atomic": 0.10469745198973318,
"volume": 229.2319396880211,
"volume_molar": 5.751945864537889,
"formula_full": "Mn8 O13 F3",
"formula_reduced": "Mn8O13F3",
"formula_anonymous": "A3B8C13",
"energy_above_hull": 3.363109344938937,
"spacegroup": 1
},
{
"id": "jvasp-117411",
"created_at": "2022-09-04T14:38:26.416869Z",
"updated_at": "2022-09-04T14:38:26.416884Z",
"structure_string": "Li5 Co5 O9 F1\n1.0\n4.679163 -0.062567 1.559449\n0.424863 4.696385 1.628216\n0.140525 0.069237 7.577585\nLi Co O F\n5 5 9 1\ndirect\n0.693116 0.494719 0.090509 Li\n0.111329 0.497697 0.306210 Li\n0.498644 0.499537 0.509475 Li\n0.898981 0.512062 0.695340 Li\n0.296732 0.510571 0.899171 Li\n0.601087 0.004701 0.799496 Co\n0.200145 0.005908 0.599865 Co\n0.002154 0.008119 0.995864 Co\n0.393405 0.006238 0.198315 Co\n0.799985 0.017249 0.397286 Co\n0.947876 0.784329 0.844240 O\n0.049661 0.215084 0.152428 O\n0.346225 0.780198 0.043733 O\n0.451018 0.217138 0.351347 O\n0.855569 0.233281 0.564854 O\n0.147469 0.786799 0.446133 O\n0.254106 0.222156 0.755074 O\n0.550680 0.789297 0.642514 O\n0.650016 0.216399 0.958053 O\n0.751781 0.698510 0.250111 F\n",
"nsites": 20,
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"elements": [
"Li",
"Co",
"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 4.9492426962349985,
"density_atomic": 0.12106911757188768,
"volume": 165.19489363688905,
"volume_molar": 4.9741345115728715,
"formula_full": "Li5 Co5 O9 F1",
"formula_reduced": "Li5Co5O9F",
"formula_anonymous": "AB5C5D9",
"energy_above_hull": 2.535612314125,
"spacegroup": 1
},
{
"id": "jvasp-48612",
"created_at": "2022-09-04T14:36:46.829259Z",
"updated_at": "2022-09-04T14:36:46.829281Z",
"structure_string": "Li4 Fe2 Si2 O8\n1.0\n4.919683 0.151595 -0.053115\n0.220000 5.377016 -0.097415\n-0.052179 0.053405 6.278204\nLi Fe Si O\n4 2 2 8\ndirect\n0.493332 0.838147 0.501553 Li\n0.983224 0.654285 0.736491 Li\n0.509797 0.339950 0.267589 Li\n0.007910 0.155960 0.500386 Li\n0.012930 0.144923 0.004069 Fe\n0.434146 0.844848 -0.003259 Fe\n-0.005721 0.663969 0.261223 Si\n0.512364 0.336217 0.741249 Si\n0.871668 0.810619 0.036940 O\n0.883199 0.812577 0.471487 O\n0.331181 0.673208 0.251246 O\n0.390879 0.631211 0.746177 O\n0.912346 0.370992 0.249572 O\n0.850646 0.318574 0.750564 O\n0.399872 0.188791 0.534983 O\n0.419505 0.213133 0.972467 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
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],
"chemical_system": "Fe-Li-O-Si",
"density": 3.2395922565344835,
"density_atomic": 0.09645519324491453,
"volume": 165.88013005555385,
"volume_molar": 6.243459328010325,
"formula_full": "Li4 Fe2 Si2 O8",
"formula_reduced": "Li2FeSiO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.2770322625,
"spacegroup": 1
},
{
"id": "jvasp-101959",
"created_at": "2022-09-04T14:36:46.873891Z",
"updated_at": "2022-09-04T14:36:46.873913Z",
"structure_string": "Cd1 H12 C8 O4\n1.0\n4.336437 0.308969 0.432626\n0.592864 4.121603 0.313638\n0.265225 0.737714 11.715941\nCd H C O\n1 12 8 4\ndirect\n0.049822 0.319099 0.810239 Cd\n0.759082 0.158098 0.426405 H\n0.776842 0.045104 0.111298 H\n0.830566 0.699960 0.036519 H\n0.097886 0.137942 0.221375 H\n0.430670 0.048721 0.299435 H\n0.918636 0.635904 0.327288 H\n0.111349 0.042413 0.494905 H\n0.291375 0.599881 0.134412 H\n0.612195 0.507438 0.218803 H\n0.564942 0.670613 0.528610 H\n0.938536 0.505820 0.581226 H\n0.263976 0.526638 0.398477 H\n0.470673 0.082720 0.979061 C\n0.648767 0.886631 0.077533 C\n0.451384 0.712677 0.173499 C\n0.266554 0.932807 0.263254 C\n0.933681 0.943893 0.459542 C\n0.770389 0.735355 0.557691 C\n0.667423 0.922065 0.662353 C\n0.093658 0.740319 0.361836 C\n0.560206 0.328144 0.916133 O\n0.423805 0.151278 0.659860 O\n0.846208 0.852429 0.746528 O\n0.225448 0.988277 0.960048 O\n",
"nsites": 25,
"nelements": 4,
"elements": [
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"H",
"C",
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],
"chemical_system": "C-Cd-H-O",
"density": 2.2941230640698986,
"density_atomic": 0.12136369216252986,
"volume": 205.99241465495365,
"volume_molar": 4.962061266177671,
"formula_full": "Cd1 H12 C8 O4",
"formula_reduced": "CdH12(C2O)4",
"formula_anonymous": "AB4C8D12",
"energy_above_hull": 4.4225993500000005,
"spacegroup": 1
},
{
"id": "jvasp-9515",
"created_at": "2022-09-04T14:36:47.147094Z",
"updated_at": "2022-09-04T14:36:47.147122Z",
"structure_string": "Cr2 P2 O10\n1.0\n4.995391 0.212197 0.166726\n-0.468449 4.978356 -0.033968\n-1.822016 -2.374649 6.573357\nCr P O\n2 2 10\ndirect\n0.497257 0.948995 0.464044 Cr\n0.934785 0.497597 0.976726 Cr\n0.069820 0.894270 0.750046 P\n0.958049 0.156138 0.282823 P\n0.137306 0.190420 0.916388 O\n0.753845 0.828809 0.647584 O\n0.870841 0.869128 0.111118 O\n0.274563 0.206605 0.385027 O\n0.796232 0.168401 0.442505 O\n0.890340 0.405817 0.203324 O\n0.235538 0.873223 0.594705 O\n0.148105 0.662382 0.847498 O\n0.424169 0.691514 0.261853 O\n0.650809 0.372751 0.814142 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Cr",
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],
"chemical_system": "Cr-O-P",
"density": 3.2715679516765324,
"density_atomic": 0.08462634509337638,
"volume": 165.43311641962623,
"volume_molar": 7.116153667460403,
"formula_full": "Cr2 P2 O10",
"formula_reduced": "CrPO5",
"formula_anonymous": "ABC5",
"energy_above_hull": 2.940805771428571,
"spacegroup": 1
},
{
"id": "jvasp-43890",
"created_at": "2022-09-04T14:36:47.257998Z",
"updated_at": "2022-09-04T14:36:47.258011Z",
"structure_string": "Fe6 O5 F7\n1.0\n4.689368 -0.025245 0.060277\n0.080240 5.556316 -0.029204\n0.174072 0.568458 7.677111\nFe O F\n6 5 7\ndirect\n0.526235 0.843091 0.669339 Fe\n0.532146 0.500913 -0.000875 Fe\n0.448010 0.195715 0.353451 Fe\n0.993140 0.327791 0.681204 Fe\n0.008229 0.654068 0.308842 Fe\n0.967879 0.982669 0.988219 Fe\n0.324070 0.478791 0.217363 O\n0.284708 0.134842 0.579031 O\n0.707423 0.533868 0.770841 O\n0.805704 0.681675 0.092351 O\n0.800805 0.051828 0.762695 O\n0.799997 0.367743 0.430233 F\n0.702472 0.182799 0.117669 F\n0.693786 0.868004 0.424134 F\n0.299616 0.802337 0.896628 F\n0.193848 0.971811 0.228434 F\n0.188662 0.623513 0.565313 F\n0.223273 0.298547 0.915134 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
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"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.548753184856416,
"density_atomic": 0.08996860453408126,
"volume": 200.06979204819575,
"volume_molar": 6.6936024974342425,
"formula_full": "Fe6 O5 F7",
"formula_reduced": "Fe6O5F7",
"formula_anonymous": "A5B6C7",
"energy_above_hull": 2.1109979154166667,
"spacegroup": 1
}
]
}