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{
"count": 55712,
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"results": [
{
"id": "jvasp-112763",
"created_at": "2022-09-04T14:38:42.189140Z",
"updated_at": "2022-09-04T14:38:42.189166Z",
"structure_string": "Li6 Mn2 Co2 O10\n1.0\n2.819639 0.000246 -0.390061\n-0.106164 5.706650 -0.764320\n-0.019924 0.003127 10.241615\nLi Mn Co O\n6 2 2 10\ndirect\n0.600016 0.300002 0.199994 Li\n0.600019 0.800001 0.199995 Li\n0.007424 0.510753 0.014628 Li\n0.192606 0.089252 0.385378 Li\n0.398706 0.696929 0.797425 Li\n0.801176 0.903045 0.602584 Li\n0.196781 0.602488 0.393609 Mn\n0.003184 0.997521 0.006389 Mn\n0.399914 0.200727 0.799785 Co\n0.800119 0.399272 0.600214 Co\n0.702088 0.827008 0.404201 O\n0.495675 0.228309 0.991327 O\n0.704338 0.371701 0.408674 O\n0.092259 0.048398 0.184531 O\n0.107734 0.551609 0.215471 O\n0.895456 0.423325 0.790868 O\n0.304589 0.176673 0.609132 O\n0.296972 0.625554 0.593938 O\n0.903060 0.974445 0.806064 O\n0.497916 0.772998 -0.004199 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.327611820281554,
"density_atomic": 0.12139054926219457,
"volume": 164.75747182592843,
"volume_molar": 4.960963432987376,
"formula_full": "Li6 Mn2 Co2 O10",
"formula_reduced": "Li3MnCoO5",
"formula_anonymous": "ABC3D5",
"energy_above_hull": 2.396949564137931,
"spacegroup": 12
},
{
"id": "jvasp-51702",
"created_at": "2022-09-04T14:38:28.101020Z",
"updated_at": "2022-09-04T14:38:28.101042Z",
"structure_string": "Ba2 H10 Br2 O6\n1.0\n4.596794 0.000000 -0.000000\n0.000000 4.596794 -0.000000\n0.000000 -0.000000 11.729607\nBa H Br O\n2 10 2 6\ndirect\n0.500000 0.000000 0.808873 Ba\n0.000000 0.500000 0.191128 Ba\n0.500000 0.000000 0.518479 H\n0.000000 0.500000 0.481521 H\n0.500000 0.319389 0.379276 H\n0.180611 0.000000 0.379276 H\n0.500000 0.680610 0.379276 H\n0.000000 0.819389 0.620724 H\n0.000000 0.180611 0.620724 H\n0.319389 0.500000 0.620724 H\n0.680610 0.500000 0.620724 H\n0.819389 0.000000 0.379276 H\n0.000000 0.500000 0.902754 Br\n0.500000 0.000000 0.097246 Br\n0.000000 0.500000 0.564555 O\n0.500000 0.500000 0.671298 O\n0.000000 0.000000 0.671298 O\n0.000000 0.000000 0.328702 O\n0.500000 0.500000 0.328702 O\n0.500000 0.000000 0.435446 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"H",
"Br",
"O"
],
"chemical_system": "Ba-Br-H-O",
"density": 3.621442735677527,
"density_atomic": 0.08069310940350966,
"volume": 247.85263757762846,
"volume_molar": 7.463017356148719,
"formula_full": "Ba2 H10 Br2 O6",
"formula_reduced": "BaH5BrO3",
"formula_anonymous": "ABC3D5",
"energy_above_hull": 2.2208500575,
"spacegroup": 129
},
{
"id": "jvasp-22954",
"created_at": "2022-09-04T14:38:20.087384Z",
"updated_at": "2022-09-04T14:38:20.087404Z",
"structure_string": "Li12 Ga4 Ge4 O20\n1.0\n4.980660 0.000000 0.000000\n0.000000 5.480020 0.000000\n0.000000 0.000000 15.849888\nLi Ga Ge O\n12 4 4 20\ndirect\n0.492236 0.324509 0.403187 Li\n0.492120 0.329016 0.803034 Li\n0.992120 0.670984 0.196966 Li\n0.992120 0.170984 0.303034 Li\n0.494944 0.339427 0.995464 Li\n0.994944 0.660573 0.004536 Li\n0.492120 0.829016 0.696966 Li\n0.494944 0.839427 0.504536 Li\n0.492236 0.824509 0.096813 Li\n0.992236 0.175491 0.903187 Li\n0.992236 0.675491 0.596814 Li\n0.994944 0.160573 0.495464 Li\n0.492167 0.831747 0.299455 Ga\n0.492167 0.331747 0.200545 Ga\n0.992167 0.668253 0.799455 Ga\n0.992167 0.168253 0.700545 Ga\n0.498194 0.339893 0.595928 Ge\n0.998194 0.660107 0.404072 Ge\n0.998194 0.160107 0.095928 Ge\n0.498194 0.839893 0.904073 Ge\n0.597648 0.656242 0.204231 O\n0.097648 0.343757 0.795769 O\n0.113171 0.818857 0.308029 O\n0.613171 0.181143 0.691971 O\n0.613171 0.681143 0.808029 O\n0.113171 0.318857 0.191971 O\n0.102757 0.355528 0.397971 O\n0.602757 0.644472 0.602029 O\n0.602757 0.144472 0.897972 O\n0.102757 0.855527 0.102029 O\n0.604198 0.177927 0.507037 O\n0.604198 0.677927 0.992963 O\n0.104198 0.322073 0.007037 O\n0.632563 0.177464 0.104420 O\n0.132563 0.322536 0.604420 O\n0.132563 0.822536 0.895580 O\n0.597648 0.156242 0.295769 O\n0.632563 0.677464 0.395580 O\n0.104198 0.822073 0.492963 O\n0.097648 0.843757 0.704232 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Li",
"Ga",
"Ge",
"O"
],
"chemical_system": "Ga-Ge-Li-O",
"density": 3.7337657133567537,
"density_atomic": 0.09246231314880814,
"volume": 432.6086882081817,
"volume_molar": 6.513076035971557,
"formula_full": "Li12 Ga4 Ge4 O20",
"formula_reduced": "Li3GaGeO5",
"formula_anonymous": "ABC3D5",
"energy_above_hull": 1.5207315775,
"spacegroup": 33
},
{
"id": "jvasp-95739",
"created_at": "2022-09-04T14:36:03.739930Z",
"updated_at": "2022-09-04T14:36:03.739960Z",
"structure_string": "Li12 Al4 Si4 O20\n1.0\n5.347184 0.000000 0.000000\n0.000000 15.540792 0.000000\n0.000000 0.000000 4.822269\nLi Al Si O\n12 4 4 20\ndirect\n0.172924 0.696714 0.897669 Li\n0.170947 0.095799 0.897046 Li\n0.829053 0.904201 0.397045 Li\n0.329053 0.595799 0.397045 Li\n0.663611 0.995391 0.894667 Li\n0.336388 0.004609 0.394667 Li\n0.670946 0.404201 0.897046 Li\n0.163611 0.504608 0.894667 Li\n0.672924 0.803286 0.897669 Li\n0.327076 0.196714 0.397669 Li\n0.827075 0.303286 0.397669 Li\n0.836388 0.495391 0.394667 Li\n0.330541 0.800051 0.398516 Al\n0.830541 0.699949 0.398516 Al\n0.169458 0.300051 0.898516 Al\n0.669458 0.199949 0.898516 Al\n0.834203 0.097680 0.394862 Si\n0.165796 0.902320 0.894862 Si\n0.665796 0.597680 0.894862 Si\n0.334203 0.402320 0.394862 Si\n0.350762 0.208843 0.806901 O\n0.649238 0.791157 0.306901 O\n0.189378 0.891649 0.240906 O\n0.810621 0.108350 0.740907 O\n0.310621 0.391650 0.740907 O\n0.689378 0.608350 0.240906 O\n0.313332 0.813644 0.768445 O\n0.686667 0.186356 0.268444 O\n0.186667 0.313644 0.268444 O\n0.813332 0.686356 0.768445 O\n0.125363 0.102331 0.300011 O\n0.625363 0.397669 0.300011 O\n0.374637 0.602331 0.800011 O\n0.313833 0.987905 0.796479 O\n0.686167 0.012095 0.296479 O\n0.186167 0.487905 0.296479 O\n0.813832 0.512095 0.796479 O\n0.850761 0.291157 0.806901 O\n0.874636 0.897669 0.800011 O\n0.149238 0.708843 0.306901 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "Al-Li-O-Si",
"density": 2.583862423526061,
"density_atomic": 0.09981832591132446,
"volume": 400.7280189765432,
"volume_molar": 6.033101341881736,
"formula_full": "Li12 Al4 Si4 O20",
"formula_reduced": "Li3AlSiO5",
"formula_anonymous": "ABC3D5",
"energy_above_hull": 1.98738789,
"spacegroup": 33
},
{
"id": "jvasp-47760",
"created_at": "2022-09-04T14:35:44.264300Z",
"updated_at": "2022-09-04T14:35:44.264325Z",
"structure_string": "Li6 Cr2 Si2 O10\n1.0\n5.029105 0.013863 0.005660\n1.620660 5.457082 -0.003010\n1.497587 1.083066 5.913097\nLi Cr Si O\n6 2 2 10\ndirect\n0.508147 0.247001 0.996175 Li\n0.306001 0.446060 0.398208 Li\n0.314869 0.947784 0.394776 Li\n0.685130 0.052216 0.605225 Li\n0.693999 0.553940 0.601793 Li\n0.491852 0.752998 0.003826 Li\n0.899742 0.345522 0.214728 Cr\n0.100258 0.654477 0.785273 Cr\n0.102666 0.151497 0.784512 Si\n0.897334 0.848502 0.215488 Si\n0.355266 0.333747 0.717694 O\n0.642077 0.122977 0.284768 O\n0.644733 0.666253 0.282307 O\n0.159723 0.045518 0.093973 O\n0.002092 0.756151 0.477293 O\n0.161746 0.576234 0.105682 O\n0.838253 0.423766 0.894319 O\n0.997907 0.243849 0.522708 O\n0.840276 0.954481 0.906027 O\n0.357922 0.877022 0.715233 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"Cr",
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"O"
],
"chemical_system": "Cr-Li-O-Si",
"density": 3.705651182929352,
"density_atomic": 0.12335962224089222,
"volume": 162.12760412758658,
"volume_molar": 4.881776265689417,
"formula_full": "Li6 Cr2 Si2 O10",
"formula_reduced": "Li3CrSiO5",
"formula_anonymous": "ABC3D5",
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"spacegroup": 2
},
{
"id": "jvasp-118983",
"created_at": "2022-09-04T14:38:31.528214Z",
"updated_at": "2022-09-04T14:38:31.528243Z",
"structure_string": "Li6 Mn2 Co2 O10\n1.0\n2.841393 0.028179 0.117835\n1.318353 6.096087 1.110567\n-0.406356 0.083184 9.592295\nLi Mn Co O\n6 2 2 10\ndirect\n0.684926 0.130309 0.586699 Li\n0.910345 0.678917 0.220342 Li\n0.315070 0.869691 0.413301 Li\n0.499999 0.500000 0.000000 Li\n0.089651 0.321083 0.779659 Li\n-0.000001 0.500000 0.500000 Li\n0.798858 0.902135 0.895886 Mn\n0.201138 0.097865 0.104114 Mn\n0.600820 0.298652 0.305035 Co\n0.399176 0.701348 0.694965 Co\n0.938349 0.623655 0.842311 O\n0.254083 0.991015 0.763757 O\n0.460289 0.579626 0.346109 O\n0.850858 0.797410 0.570792 O\n0.061647 0.376345 0.157689 O\n0.658336 0.182744 0.964430 O\n0.149138 0.202590 0.429208 O\n0.341660 0.817256 0.035570 O\n0.745914 0.008985 0.236243 O\n0.539708 0.420374 0.653891 O\n",
"nsites": 20,
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"elements": [
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"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.2997510966948385,
"density_atomic": 0.12060904928495918,
"volume": 165.82503650075736,
"volume_molar": 4.993108556698494,
"formula_full": "Li6 Mn2 Co2 O10",
"formula_reduced": "Li3MnCoO5",
"formula_anonymous": "ABC3D5",
"energy_above_hull": 2.404715564137931,
"spacegroup": 12
},
{
"id": "jvasp-119584",
"created_at": "2022-09-04T14:38:35.776583Z",
"updated_at": "2022-09-04T14:38:35.776613Z",
"structure_string": "Li6 Mn2 Co2 O10\n1.0\n4.655250 -0.008768 1.599535\n1.528385 4.702429 0.564065\n0.027954 -0.061514 7.495676\nLi Mn Co O\n6 2 2 10\ndirect\n-0.000001 0.500001 0.500001 Li\n0.596267 0.499977 0.307413 Li\n0.199885 0.499987 0.100218 Li\n0.800113 0.500014 0.899784 Li\n0.403731 0.500023 0.692590 Li\n0.500000 0.000000 0.500001 Li\n0.900299 0.000000 0.699418 Mn\n0.099700 0.000000 0.300584 Mn\n0.300483 -0.000001 0.899039 Co\n0.699516 0.000001 0.100962 Co\n0.140482 0.225365 0.712661 O\n0.646923 0.774610 0.712621 O\n0.221022 0.769048 0.499965 O\n0.859516 0.774636 0.287341 O\n0.443069 0.779902 0.101285 O\n0.044409 0.779898 0.898648 O\n0.353075 0.225390 0.287381 O\n0.955589 0.220103 0.101355 O\n0.556929 0.220099 0.898718 O\n0.778976 0.230953 0.500037 O\n",
"nsites": 20,
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"elements": [
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],
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"density": 4.3478940264427,
"density_atomic": 0.12195947000841582,
"volume": 163.9889054832716,
"volume_molar": 4.937821359492987,
"formula_full": "Li6 Mn2 Co2 O10",
"formula_reduced": "Li3MnCoO5",
"formula_anonymous": "ABC3D5",
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"spacegroup": 12
},
{
"id": "jvasp-113238",
"created_at": "2022-09-04T14:38:44.692227Z",
"updated_at": "2022-09-04T14:38:44.692244Z",
"structure_string": "Li6 V2 O2 F10\n1.0\n5.053421 -0.124686 -0.223730\n-1.726938 5.341254 0.396744\n-0.151829 0.353622 8.079555\nLi V O F\n6 2 2 10\ndirect\n0.059079 0.919020 0.652684 Li\n0.559082 0.419017 0.152687 Li\n-0.010258 0.389059 0.688208 Li\n0.489748 0.889060 0.188208 Li\n0.484986 0.745627 0.826939 Li\n-0.015013 0.245631 0.326939 Li\n0.522822 0.567041 0.499619 V\n0.022820 0.067037 -0.000381 V\n0.217409 0.072324 0.172574 O\n0.717400 0.572322 0.672575 O\n0.707380 0.751150 0.041950 F\n0.802413 0.054285 0.773581 F\n0.302414 0.554286 0.273579 F\n0.771066 0.214631 0.090579 F\n0.271055 0.714634 0.590577 F\n0.220921 0.905740 0.877110 F\n0.720922 0.405738 0.377112 F\n0.729785 0.896321 0.392547 F\n0.229785 0.396327 0.892545 F\n0.207378 0.251155 0.541951 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 2.815227951738545,
"density_atomic": 0.09276689572508745,
"volume": 215.59414965516942,
"volume_molar": 6.491691581279679,
"formula_full": "Li6 V2 O2 F10",
"formula_reduced": "Li3VOF5",
"formula_anonymous": "ABC3D5",
"energy_above_hull": 0.66941491125,
"spacegroup": 1
},
{
"id": "jvasp-111759",
"created_at": "2022-09-04T14:38:40.859371Z",
"updated_at": "2022-09-04T14:38:40.859396Z",
"structure_string": "Y6 S2 O2 F10\n1.0\n3.668947 0.000000 0.000000\n0.000000 8.129749 4.596556\n0.000000 -0.004691 9.394382\nY S O F\n6 2 2 10\ndirect\n0.000000 0.584440 0.133004 Y\n0.000000 0.131974 0.270400 Y\n0.000000 0.298470 0.585251 Y\n0.500000 0.403438 0.896187 Y\n0.500000 0.877311 0.715378 Y\n0.500000 0.704916 0.402890 Y\n0.000000 0.670873 0.667653 S\n0.500000 0.326946 0.337962 S\n0.000000 0.383802 0.051655 O\n0.000000 0.563781 0.387363 O\n0.500000 0.622745 0.952658 F\n0.000000 0.843786 0.881001 F\n0.000000 0.887367 0.272913 F\n0.000000 0.272146 0.839275 F\n0.500000 0.143110 0.116805 F\n0.500000 0.120417 0.717448 F\n0.500000 0.731529 0.147829 F\n0.000000 0.047006 0.566047 F\n0.500000 0.430552 0.626181 F\n0.500000 0.955391 0.432101 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Y",
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"O",
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],
"chemical_system": "F-O-S-Y",
"density": 4.85527763917684,
"density_atomic": 0.07135437535850644,
"volume": 280.29115102632204,
"volume_molar": 8.43976382631465,
"formula_full": "Y6 S2 O2 F10",
"formula_reduced": "Y3SOF5",
"formula_anonymous": "ABC3D5",
"energy_above_hull": 1.0765981262499995,
"spacegroup": 6
},
{
"id": "jvasp-48323",
"created_at": "2022-09-04T14:35:58.472154Z",
"updated_at": "2022-09-04T14:35:58.472178Z",
"structure_string": "Li10 Mn2 O6 F2\n1.0\n-1.850615 -4.577430 -4.255016\n-1.850615 4.577430 -4.255016\n3.757380 0.000000 -2.859945\nLi Mn O F\n10 2 6 2\ndirect\n0.961501 0.545720 0.243199 Li\n0.456979 0.052953 0.753343 Li\n0.197048 0.793021 0.496659 Li\n0.793021 0.197048 0.496659 Li\n0.769498 0.769498 0.727542 Li\n0.052953 0.456979 0.753343 Li\n0.545720 0.961501 0.243199 Li\n0.288499 0.704280 0.006804 Li\n0.704280 0.288499 0.006804 Li\n0.480502 0.480502 0.522461 Li\n0.256461 0.256461 0.248740 Mn\n-0.006461 -0.006461 0.001261 Mn\n0.981133 0.268867 0.125002 O\n0.268867 0.981133 0.125002 O\n0.223536 0.518411 0.373995 O\n0.518411 0.223536 0.373995 O\n0.731589 0.026464 0.876007 O\n0.026464 0.731589 0.876007 O\n0.772998 0.477002 0.625002 F\n0.477002 0.772998 0.625002 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 2.670237728436593,
"density_atomic": 0.10265949683654176,
"volume": 194.81880017242574,
"volume_molar": 5.8661311866633,
"formula_full": "Li10 Mn2 O6 F2",
"formula_reduced": "Li5MnO3F",
"formula_anonymous": "ABC3D5",
"energy_above_hull": 1.5570368023879309,
"spacegroup": 12
},
{
"id": "jvasp-48169",
"created_at": "2022-09-04T14:35:52.713774Z",
"updated_at": "2022-09-04T14:35:52.713795Z",
"structure_string": "Li10 Mn2 O6 F2\n1.0\n4.648536 -0.012560 0.028702\n0.017971 6.592391 -0.009206\n0.073358 0.008885 6.560810\nLi Mn O F\n10 2 6 2\ndirect\n0.965431 0.307699 0.249279 Li\n0.985069 0.725394 0.675283 Li\n0.957787 0.006901 0.473796 Li\n0.467631 0.045402 0.470648 Li\n0.514926 0.225380 0.774727 Li\n0.479204 0.801559 0.748498 Li\n0.534557 0.807694 0.200721 Li\n0.542218 0.506902 0.976194 Li\n0.032374 0.545412 0.979355 Li\n0.020793 0.301565 0.701495 Li\n0.965819 0.012154 0.965540 Mn\n0.534185 0.512153 0.484460 Mn\n0.812877 0.292837 0.973091 O\n0.745099 0.255215 0.494042 O\n0.754919 0.755222 0.955953 O\n0.281668 0.523023 0.741371 O\n0.687117 0.792829 0.476906 O\n0.218330 0.023017 0.708633 O\n0.275944 0.529816 0.204509 F\n0.224066 0.029811 0.245489 F\n",
"nsites": 20,
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"elements": [
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"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 2.5875580997389567,
"density_atomic": 0.09948081016368845,
"volume": 201.04379897079096,
"volume_molar": 6.053570281636231,
"formula_full": "Li10 Mn2 O6 F2",
"formula_reduced": "Li5MnO3F",
"formula_anonymous": "ABC3D5",
"energy_above_hull": 1.5649918023879308,
"spacegroup": 4
},
{
"id": "jvasp-118984",
"created_at": "2022-09-04T14:38:52.552733Z",
"updated_at": "2022-09-04T14:38:52.552765Z",
"structure_string": "Li6 Mn2 Co2 O10\n1.0\n4.875287 0.008171 -0.618761\n-1.859644 5.264134 -1.357099\n0.012181 -0.027296 6.391683\nLi Mn Co O\n6 2 2 10\ndirect\n0.196838 0.897384 0.405963 Li\n0.992489 0.500875 0.000782 Li\n0.410346 0.305403 0.788367 Li\n0.606951 0.691690 0.213709 Li\n0.797909 0.109279 0.593245 Li\n0.796672 0.592885 0.591767 Li\n-0.000284 0.999214 0.998502 Mn\n0.395610 0.791547 0.791593 Mn\n0.201065 0.402299 0.403240 Co\n0.600146 0.201106 0.201707 Co\n0.480184 0.741070 0.511814 O\n0.294573 0.863071 0.085313 O\n0.124008 0.466824 0.697207 O\n0.488286 0.251938 0.477657 O\n0.700339 0.678781 0.906514 O\n0.902869 0.069131 0.289172 O\n0.113808 0.951302 0.724255 O\n0.899096 0.522513 0.297733 O\n0.297313 0.331951 0.115070 O\n0.701786 0.131721 0.906380 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.34861123305446,
"density_atomic": 0.12197958782585225,
"volume": 163.9618591641217,
"volume_molar": 4.937006975788185,
"formula_full": "Li6 Mn2 Co2 O10",
"formula_reduced": "Li3MnCoO5",
"formula_anonymous": "ABC3D5",
"energy_above_hull": 2.396515564137931,
"spacegroup": 1
}
]
}