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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=57",
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"results": [
{
"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": [
"Li",
"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": [
"Ni",
"O",
"F"
],
"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",
"energy_above_hull": 0.4515880125000001,
"spacegroup": 1
},
{
"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": [
"Mn",
"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,
"nelements": 4,
"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-117443",
"created_at": "2022-09-04T14:38:26.599744Z",
"updated_at": "2022-09-04T14:38:26.599768Z",
"structure_string": "Li5 Mn3 O5 F3\n1.0\n5.075330 -0.003771 -2.655104\n-1.580527 4.916602 -2.754606\n0.003095 -0.019115 5.982829\nLi Mn O F\n5 3 5 3\ndirect\n0.877733 0.122581 0.247005 Li\n0.864431 0.131377 0.741249 Li\n0.854108 0.603973 0.725653 Li\n0.388011 0.135827 0.271093 Li\n0.377976 0.613570 0.740670 Li\n0.860718 0.611990 0.220394 Mn\n0.375381 0.626525 0.251268 Mn\n0.383259 0.133317 0.749259 Mn\n0.607546 0.386530 0.227355 O\n0.122787 0.405310 0.249621 O\n0.631315 0.850339 0.258375 O\n0.616626 0.368637 0.739742 O\n0.144628 0.868004 0.284707 O\n0.659110 0.878301 0.790023 F\n0.145066 0.891105 0.791647 F\n0.091293 0.372603 0.711931 F\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.7515512474133175,
"density_atomic": 0.1074192358771801,
"volume": 148.9491139025967,
"volume_molar": 5.606203312491939,
"formula_full": "Li5 Mn3 O5 F3",
"formula_reduced": "Li5Mn3O5F3",
"formula_anonymous": "A3B3C5D5",
"energy_above_hull": 2.0246906294773703,
"spacegroup": 1
},
{
"id": "jvasp-117313",
"created_at": "2022-09-04T14:38:26.481569Z",
"updated_at": "2022-09-04T14:38:26.481585Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n4.691479 -0.005244 -1.646688\n-1.951318 6.501052 -3.153540\n-0.052464 -0.076299 7.558280\nLi Mn Co O\n8 2 4 14\ndirect\n0.576235 0.219388 0.075929 Li\n0.001994 0.509342 0.503003 Li\n0.427825 0.777624 0.912968 Li\n0.852344 0.076255 0.359882 Li\n0.290565 0.359530 0.785197 Li\n0.710939 0.637419 0.222866 Li\n0.141047 0.919195 0.639714 Li\n0.569891 0.707446 0.569379 Li\n-0.006718 0.996660 0.991304 Mn\n0.291963 0.855120 0.291500 Mn\n0.713556 0.141446 0.713996 Co\n0.145987 0.430520 0.145519 Co\n0.429180 0.288048 0.429770 Co\n0.855197 0.573096 0.856210 Co\n0.143716 0.678526 0.375555 O\n0.119849 0.179957 0.898058 O\n0.543711 0.451176 0.317285 O\n0.001024 0.757946 0.768032 O\n0.404334 0.035070 0.182991 O\n0.829065 0.324375 0.616442 O\n0.267880 0.610184 0.046307 O\n0.691722 0.902411 0.461973 O\n0.024434 0.249097 0.244116 O\n0.448568 0.523374 0.676409 O\n0.877669 0.825018 0.100475 O\n0.305262 0.102697 0.529327 O\n0.742034 0.392088 0.955446 O\n0.600739 0.976992 0.830349 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.542684853449896,
"density_atomic": 0.12253277370441562,
"volume": 228.5102928261795,
"volume_molar": 4.914718387528826,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.5534566815270936,
"spacegroup": 1
},
{
"id": "jvasp-117314",
"created_at": "2022-09-04T14:38:26.525036Z",
"updated_at": "2022-09-04T14:38:26.525073Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n4.728980 0.018558 -1.551593\n-0.406553 5.547622 -1.137425\n-0.094578 0.077562 7.480357\nLi Mn Co O\n7 2 3 12\ndirect\n0.506996 0.268264 0.005947 Li\n0.512666 0.424888 0.675888 Li\n0.502529 0.731421 0.001562 Li\n0.506219 0.913606 0.667372 Li\n0.488191 0.080972 0.329089 Li\n0.485619 0.580501 0.320560 Li\n-0.001914 0.501597 0.003059 Li\n0.001985 -0.002943 0.003595 Mn\n0.002703 0.173712 0.669343 Mn\n0.001426 0.667779 0.668980 Co\n0.997005 0.829657 0.329868 Co\n0.997421 0.334035 0.331032 Co\n0.227092 0.277870 0.165697 O\n0.778665 0.042522 0.171143 O\n0.773594 0.195155 0.829857 O\n0.769003 0.544094 0.183560 O\n0.771192 0.722287 0.834915 O\n0.782232 0.879051 0.506794 O\n0.780126 0.378169 0.509456 O\n0.232798 0.451333 0.815245 O\n0.210943 0.622857 0.489866 O\n0.223921 0.959707 0.828744 O\n0.220041 0.120746 0.493766 O\n0.229547 0.802713 0.164679 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.468016442908605,
"density_atomic": 0.12247735781515154,
"volume": 195.95458644872062,
"volume_molar": 4.916942092340768,
"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
"formula_anonymous": "A2B3C7D12",
"energy_above_hull": 2.689443299281609,
"spacegroup": 1
},
{
"id": "jvasp-108094",
"created_at": "2022-09-04T14:38:27.129278Z",
"updated_at": "2022-09-04T14:38:27.129300Z",
"structure_string": "Na1 Li1 As2 S4\n1.0\n5.151328 0.005394 -1.996742\n-0.816563 5.055342 -2.163769\n-0.050794 -0.005532 6.588432\nNa Li As S\n1 1 2 4\ndirect\n0.475384 0.220204 0.951214 Na\n0.976901 0.748901 0.962169 Li\n0.156219 0.473540 0.393325 As\n0.654904 0.909399 0.390323 As\n0.509013 0.739153 -0.005591 S\n0.996447 0.261563 -0.002778 S\n0.248700 0.917519 0.444120 S\n0.772240 0.538878 0.485537 S\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Na",
"Li",
"As",
"S"
],
"chemical_system": "As-Li-Na-S",
"density": 2.99088660888362,
"density_atomic": 0.046778062053924485,
"volume": 171.02033835385947,
"volume_molar": 12.873856879872106,
"formula_full": "Na1 Li1 As2 S4",
"formula_reduced": "NaLi(AsS2)2",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.6882490625,
"spacegroup": 1
},
{
"id": "jvasp-117445",
"created_at": "2022-09-04T14:38:27.510073Z",
"updated_at": "2022-09-04T14:38:27.510091Z",
"structure_string": "Li4 V4 O4 F16\n1.0\n5.071488 0.019780 -0.133363\n-0.204619 6.961758 -2.783560\n-0.166650 -0.080659 9.541291\nLi V O F\n4 4 4 16\ndirect\n0.056761 0.611565 0.373957 Li\n0.292330 0.645725 0.764151 Li\n0.016824 0.101269 0.383104 Li\n0.511428 0.145031 0.890676 Li\n0.560037 0.942276 0.496471 V\n0.534777 0.455176 0.477949 V\n0.956400 0.559177 0.004870 V\n0.012362 0.054225 0.006451 V\n0.811259 0.363600 0.410190 O\n0.151700 0.247347 0.001494 O\n0.835030 0.756239 0.002733 O\n0.670229 0.734786 0.490472 O\n0.688531 0.379460 0.914943 F\n0.136639 0.057630 0.189078 F\n0.362283 0.243622 0.484456 F\n0.113049 0.468662 0.820801 F\n0.701693 0.144018 0.086330 F\n0.629519 0.549363 0.678333 F\n0.363547 0.447357 0.305901 F\n0.226432 0.872084 0.404369 F\n0.279293 0.892191 0.909072 F\n0.862379 0.558454 0.189230 F\n0.822875 0.964384 0.824797 F\n0.277893 0.638867 0.090437 F\n0.834586 0.109386 0.579852 F\n0.666311 0.949180 0.320303 F\n0.216403 0.617893 0.563591 F\n0.400740 0.042695 0.673508 F\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 2.9661283354786274,
"density_atomic": 0.08342730186311512,
"volume": 335.62154564151575,
"volume_molar": 7.218429249792758,
"formula_full": "Li4 V4 O4 F16",
"formula_reduced": "LiVOF4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 0.7089584042857149,
"spacegroup": 1
},
{
"id": "jvasp-117452",
"created_at": "2022-09-04T14:38:27.578131Z",
"updated_at": "2022-09-04T14:38:27.578149Z",
"structure_string": "Li3 V6 O3 F15\n1.0\n5.246977 0.017781 1.446895\n1.481729 6.702839 -2.991696\n0.026191 0.014439 8.672300\nLi V O F\n3 6 3 15\ndirect\n0.412248 0.721991 0.006694 Li\n0.902808 0.467071 0.349681 Li\n0.438663 0.209357 0.982881 Li\n0.647085 0.329152 0.674792 V\n0.667673 0.826426 0.655294 V\n0.018664 0.493633 0.985808 V\n0.357728 0.667467 0.343473 V\n0.006535 0.001344 0.010439 V\n0.327033 0.148271 0.327554 V\n0.228391 0.015536 0.136080 O\n0.572370 0.679748 0.468943 O\n0.365599 0.383463 0.866818 O\n0.303944 0.989881 0.809135 F\n0.718995 0.038400 0.576659 F\n0.747620 0.009196 0.879417 F\n0.622485 0.633684 0.766451 F\n0.947930 0.303716 0.461284 F\n0.424862 0.331845 0.527574 F\n0.626509 0.629451 0.114113 F\n0.037764 0.679400 0.527722 F\n0.374274 0.366537 0.233586 F\n0.944648 0.307420 0.103349 F\n0.277470 0.958451 0.428677 F\n0.061791 0.708452 0.906292 F\n0.101921 0.664600 0.204015 F\n0.699449 0.022880 0.205485 F\n0.907380 0.321422 0.791081 F\n",
"nsites": 27,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.592928506132725,
"density_atomic": 0.08858982434072145,
"volume": 304.7754096018577,
"volume_molar": 6.797779321514973,
"formula_full": "Li3 V6 O3 F15",
"formula_reduced": "LiV2OF5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.131315923611111,
"spacegroup": 1
}
]
}