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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4570",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4568",
"results": [
{
"id": "jvasp-117042",
"created_at": "2022-09-04T14:38:48.177924Z",
"updated_at": "2022-09-04T14:38:48.177946Z",
"structure_string": "Hf4 Cr4 Cu4 S16\n1.0\n6.031273 0.004852 -0.013333\n-0.016587 7.102939 -1.064425\n0.009222 -1.703453 12.434205\nHf Cr Cu S\n4 4 4 16\ndirect\n0.004345 0.520053 0.751736 Hf\n0.498751 0.250149 0.249396 Hf\n0.497182 0.749575 0.249142 Hf\n0.502799 0.233363 0.750223 Hf\n0.997448 -0.001024 0.248907 Cr\n-0.000319 -0.001179 0.752175 Cr\n0.000708 0.501378 0.250675 Cr\n0.502260 0.753187 0.749874 Cr\n0.926572 0.508190 0.992674 Cu\n0.072295 0.986945 0.501034 Cu\n0.593845 0.481698 0.493226 Cu\n0.407984 0.020052 0.008496 Cu\n0.322223 0.932035 0.633119 S\n0.322247 0.057955 0.370346 S\n0.348907 0.448549 0.631987 S\n0.327998 0.561767 0.370881 S\n0.670825 0.045028 0.868443 S\n0.670709 0.938209 0.128695 S\n0.847983 0.187612 0.633441 S\n0.823354 0.699881 0.631574 S\n0.178003 0.823989 0.869148 S\n0.146854 0.190541 0.134269 S\n0.157213 0.296392 0.869064 S\n0.147459 0.695891 0.133907 S\n0.676935 0.441696 0.128421 S\n0.850502 0.311735 0.366455 S\n0.848069 0.802994 0.363671 S\n0.656829 0.563349 0.869036 S\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Hf",
"Cr",
"Cu",
"S"
],
"chemical_system": "Cr-Cu-Hf-S",
"density": 5.3760662114095,
"density_atomic": 0.053666169056828986,
"volume": 521.743968166422,
"volume_molar": 11.221484346354114,
"formula_full": "Hf4 Cr4 Cu4 S16",
"formula_reduced": "HfCrCuS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.6937572642857157,
"spacegroup": 1
},
{
"id": "jvasp-113226",
"created_at": "2022-09-04T14:38:48.294703Z",
"updated_at": "2022-09-04T14:38:48.294735Z",
"structure_string": "Li4 Cr2 P4 H3 O16\n1.0\n4.867442 0.018344 0.150473\n1.838870 7.350657 0.069131\n-0.009702 -0.021248 8.196049\nLi Cr P H O\n4 2 4 3 16\ndirect\n0.119677 0.324919 0.346412 Li\n0.391840 0.151069 0.875489 Li\n0.598380 0.839511 0.119761 Li\n0.887819 0.680277 0.642184 Li\n0.006501 0.500903 0.994262 Cr\n0.494854 0.002428 0.496650 Cr\n0.631392 0.240823 0.152670 P\n0.879208 0.251358 0.668288 P\n0.112660 0.746625 0.328884 P\n0.374429 0.766148 0.842751 P\n0.965726 0.012137 0.009974 H\n0.444207 0.513648 0.428223 H\n0.536409 0.498645 0.654454 H\n0.655219 0.143477 0.691710 O\n0.855348 0.350456 0.173579 O\n0.716721 0.451354 0.592483 O\n0.626739 0.657399 0.941471 O\n0.480616 0.811938 0.671303 O\n0.757238 0.053406 0.060199 O\n0.351639 0.842970 0.308612 O\n0.991241 0.700329 0.169917 O\n0.517925 0.192578 0.319720 O\n0.389829 0.340907 0.044721 O\n0.236962 0.549063 0.416437 O\n0.166142 0.642645 0.814584 O\n0.006710 0.296061 0.825979 O\n0.103242 0.175454 0.535206 O\n0.246780 0.941602 0.940185 O\n0.883430 0.839961 0.453786 O\n",
"nsites": 29,
"nelements": 5,
"elements": [
"Li",
"Cr",
"P",
"H",
"O"
],
"chemical_system": "Cr-H-Li-O-P",
"density": 2.9169871108214407,
"density_atomic": 0.09898249137899189,
"volume": 292.98110803215224,
"volume_molar": 6.084046457208231,
"formula_full": "Li4 Cr2 P4 H3 O16",
"formula_reduced": "Li4Cr2P4H3O16",
"formula_anonymous": "A2B3C4D4E16",
"energy_above_hull": 3.0526969931034484,
"spacegroup": 1
},
{
"id": "jvasp-117094",
"created_at": "2022-09-04T14:38:48.521446Z",
"updated_at": "2022-09-04T14:38:48.521473Z",
"structure_string": "V6 O2 F22\n1.0\n5.012519 0.004753 -0.005669\n-0.002646 5.334262 -0.872545\n-0.002092 0.137135 13.951158\nV O F\n6 2 22\ndirect\n-0.001308 0.003180 -0.000516 V\n0.451047 0.172721 0.330533 V\n0.010577 0.310655 0.666064 V\n0.498620 0.503285 -0.000156 V\n0.960527 0.672019 0.333350 V\n0.529250 0.780683 0.662559 V\n0.394992 0.136817 0.215608 O\n0.710148 0.523871 0.635179 O\n0.215484 0.632577 0.700726 F\n0.624799 0.526475 0.117937 F\n0.884288 0.699229 0.456165 F\n0.619163 0.874447 0.784590 F\n0.663547 0.844763 0.299291 F\n0.388952 0.815895 0.549866 F\n0.121258 0.982044 0.881138 F\n0.277781 0.474048 0.370985 F\n0.124850 0.654833 0.221598 F\n0.187420 0.322654 0.032547 F\n0.125806 0.314237 0.547989 F\n0.780194 0.372691 0.297974 F\n0.391264 0.478207 0.879406 F\n0.312550 0.817559 0.031862 F\n0.891909 0.367533 0.785712 F\n0.649950 0.185101 0.441674 F\n0.893582 0.026842 0.120165 F\n0.306479 0.137711 0.699236 F\n0.687140 0.184601 0.967690 F\n0.815512 0.009475 0.633065 F\n0.812335 0.688715 0.966830 F\n0.171880 0.987126 0.370944 F\n",
"nsites": 30,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.3582252685301364,
"density_atomic": 0.08029393657663375,
"volume": 373.6272161892018,
"volume_molar": 7.500118958861081,
"formula_full": "V6 O2 F22",
"formula_reduced": "V3OF11",
"formula_anonymous": "AB3C11",
"energy_above_hull": 0.9595666138333332,
"spacegroup": 1
},
{
"id": "jvasp-120385",
"created_at": "2022-09-04T14:38:48.791312Z",
"updated_at": "2022-09-04T14:38:48.791335Z",
"structure_string": "Au1 Br3\n1.0\n7.326739 -1.364499 -1.403514\n4.631630 -4.649448 -1.302090\n0.686804 -3.685441 -5.053460\nAu Br\n1 3\ndirect\n0.094007 0.648585 0.788629 Au\n0.873087 0.027177 0.973147 Br\n0.684598 0.479193 0.242166 Br\n0.308505 0.207030 0.659780 Br\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Au",
"Br"
],
"chemical_system": "Au-Br",
"density": 5.766515636997218,
"density_atomic": 0.03180991359595588,
"volume": 125.74696212027862,
"volume_molar": 18.93164765076765,
"formula_full": "Au1 Br3",
"formula_reduced": "AuBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0398649712499999,
"spacegroup": 1
},
{
"id": "jvasp-117798",
"created_at": "2022-09-04T14:38:48.585582Z",
"updated_at": "2022-09-04T14:38:48.585601Z",
"structure_string": "I1 Br3\n1.0\n5.822527 -0.632427 -0.213850\n4.891228 -4.552760 0.982686\n-0.174135 1.406470 -6.701782\nI Br\n1 3\ndirect\n0.138656 0.559634 0.528508 I\n0.746153 0.164438 0.935176 Br\n0.392374 0.699832 0.292265 Br\n0.926496 0.428119 0.729745 Br\n",
"nsites": 4,
"nelements": 2,
"elements": [
"I",
"Br"
],
"chemical_system": "Br-I",
"density": 4.122216822402153,
"density_atomic": 0.02708505698756472,
"volume": 147.68290876539334,
"volume_molar": 22.234181610785914,
"formula_full": "I1 Br3",
"formula_reduced": "IBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 1
},
{
"id": "jvasp-117792",
"created_at": "2022-09-04T14:38:48.505583Z",
"updated_at": "2022-09-04T14:38:48.505608Z",
"structure_string": "I2 Br1\n1.0\n4.349434 -1.049828 0.813130\n-0.641091 -4.245619 -0.266414\n-0.959715 -3.031680 -6.079559\nI Br\n2 1\ndirect\n0.667496 0.002745 0.375638 I\n0.359743 -0.008079 0.699898 I\n0.989746 0.004175 0.056426 Br\n",
"nsites": 3,
"nelements": 2,
"elements": [
"I",
"Br"
],
"chemical_system": "Br-I",
"density": 4.9993550344370075,
"density_atomic": 0.027065315240995973,
"volume": 110.84297276005434,
"volume_molar": 22.250399473929765,
"formula_full": "I2 Br1",
"formula_reduced": "I2Br",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 1
},
{
"id": "jvasp-117135",
"created_at": "2022-09-04T14:38:48.601790Z",
"updated_at": "2022-09-04T14:38:48.601815Z",
"structure_string": "Re2 Cl5 O4\n1.0\n5.093123 -0.221889 -2.184530\n-0.940923 5.651314 -1.650371\n-0.730905 0.062338 8.674989\nRe Cl O\n2 5 4\ndirect\n0.969734 0.461405 0.437850 Re\n0.903692 -0.002188 -0.001246 Re\n0.249384 -0.033826 0.272382 Cl\n0.519034 0.109850 0.799428 Cl\n0.597521 0.725630 0.006962 Cl\n0.177187 0.362613 0.071934 Cl\n-0.096257 0.296987 0.619407 Cl\n0.833158 0.711150 0.433318 O\n0.323054 0.543432 0.519168 O\n0.806049 0.256019 0.214064 O\n-0.019663 0.825422 0.847630 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Re",
"Cl",
"O"
],
"chemical_system": "Cl-O-Re",
"density": 4.25945019237295,
"density_atomic": 0.045978793211762944,
"volume": 239.24072885814292,
"volume_molar": 13.097648588261189,
"formula_full": "Re2 Cl5 O4",
"formula_reduced": "Re2Cl5O4",
"formula_anonymous": "A2B4C5",
"energy_above_hull": 2.5421536670454543,
"spacegroup": 1
},
{
"id": "jvasp-119180",
"created_at": "2022-09-04T14:38:51.584816Z",
"updated_at": "2022-09-04T14:38:51.584838Z",
"structure_string": "In5 Ga5 S15\n1.0\n6.665352 0.001668 0.508406\n3.272617 5.742870 0.948584\n-0.074272 -0.065567 15.302621\nIn Ga S\n5 5 15\ndirect\n0.655458 0.668912 0.003536 In\n0.340407 0.322315 0.012530 In\n0.993713 0.016505 0.003824 In\n0.003204 0.416572 0.740469 In\n0.665893 0.082666 0.740056 In\n0.332463 0.925645 0.317080 Ga\n0.014582 0.574523 0.253892 Ga\n-0.024858 0.841414 0.447804 Ga\n0.687740 0.484311 0.447788 Ga\n0.331228 0.749035 0.753945 Ga\n0.671172 0.571627 0.289641 S\n0.324214 0.700790 0.901688 S\n0.666885 0.030853 0.903383 S\n0.003224 0.373379 0.903353 S\n0.030242 0.769736 0.678035 S\n0.333682 0.074381 0.676589 S\n0.331370 0.827859 0.471579 S\n0.329157 0.968240 0.092636 S\n0.666126 0.311390 0.092533 S\n0.993024 0.647448 0.091571 S\n0.356527 0.249927 0.278092 S\n0.671549 0.158854 0.499758 S\n0.993685 0.497085 0.497649 S\n0.638665 0.465062 0.680628 S\n-0.009179 0.915336 0.289838 S\n",
"nsites": 25,
"nelements": 3,
"elements": [
"In",
"Ga",
"S"
],
"chemical_system": "Ga-In-S",
"density": 3.976254699223959,
"density_atomic": 0.04264783551915896,
"volume": 586.1962206445176,
"volume_molar": 14.12062461480521,
"formula_full": "In5 Ga5 S15",
"formula_reduced": "InGaS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.883934459,
"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
}
]
}