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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4345",
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"results": [
{
"id": "jvasp-116515",
"created_at": "2022-09-04T14:38:31.920171Z",
"updated_at": "2022-09-04T14:38:31.920191Z",
"structure_string": "Li4 Nb3 Cr3 Ni2 O16\n1.0\n5.927971 -0.003925 0.058876\n2.904791 5.167498 0.058876\n0.077860 0.045517 9.716219\nLi Nb Cr Ni O\n4 3 3 2 16\ndirect\n0.338851 0.338852 0.099472 Li\n0.986752 0.986756 0.998210 Li\n0.968400 0.968402 0.509725 Li\n0.667817 0.667819 0.617414 Li\n0.171553 0.171554 0.783993 Nb\n0.837190 0.341040 0.287419 Nb\n0.341038 0.837191 0.287419 Nb\n0.171092 0.662145 0.786984 Cr\n0.830471 0.830473 0.283038 Cr\n0.662144 0.171094 0.786984 Cr\n0.339009 0.339010 0.518961 Ni\n0.669291 0.669294 0.995718 Ni\n0.839235 0.839238 0.887960 O\n0.838057 0.319640 0.897518 O\n0.669376 0.669378 0.405052 O\n0.519242 0.971931 0.162669 O\n0.971929 0.519244 0.162669 O\n0.162491 0.162492 0.403814 O\n0.034960 0.491490 0.663756 O\n0.482910 0.482911 0.672347 O\n0.157868 0.678663 0.394509 O\n-0.001311 -0.001310 0.180568 O\n0.999780 0.999783 0.685677 O\n0.334650 0.334652 0.898921 O\n0.517399 0.517401 0.165598 O\n0.678662 0.157869 0.394509 O\n0.491489 0.034961 0.663756 O\n0.319638 0.838059 0.897518 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Nb",
"Cr",
"Ni",
"O"
],
"chemical_system": "Cr-Li-Nb-Ni-O",
"density": 4.662059817383815,
"density_atomic": 0.09405007262113525,
"volume": 297.71375204348055,
"volume_molar": 6.403121860691347,
"formula_full": "Li4 Nb3 Cr3 Ni2 O16",
"formula_reduced": "Li4Nb3Cr3(NiO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy_above_hull": 3.3268875428571425,
"spacegroup": 8
},
{
"id": "jvasp-118994",
"created_at": "2022-09-04T14:38:31.964268Z",
"updated_at": "2022-09-04T14:38:31.964294Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n6.186579 -0.036668 4.261594\n5.548645 2.736355 4.261594\n-0.033786 -0.007773 11.535178\nLi Mn Co O\n7 2 3 12\ndirect\n0.668697 0.668701 0.741755 Li\n0.000305 0.000306 0.257582 Li\n0.349408 0.349411 0.732878 Li\n0.651819 0.651821 0.274194 Li\n0.005342 0.005344 0.733558 Li\n0.326641 0.326642 0.257596 Li\n0.002136 0.002137 0.504135 Li\n-0.000493 -0.000493 0.000204 Mn\n0.339641 0.339643 0.496248 Mn\n0.332751 0.332754 0.999583 Co\n0.662917 0.662919 0.501242 Co\n0.666334 0.666335 0.000481 Co\n0.174047 0.174049 0.609149 O\n0.495025 0.495029 0.889878 O\n0.827424 0.827427 0.388903 O\n0.158653 0.158655 0.891098 O\n0.488714 0.488716 0.379058 O\n0.823968 0.823972 0.894725 O\n0.167154 0.167155 0.387684 O\n0.831574 0.831577 0.613186 O\n0.174896 0.174896 0.105526 O\n0.508992 0.508995 0.620917 O\n0.840242 0.840244 0.109167 O\n0.503788 0.503789 0.111253 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.420908693462831,
"density_atomic": 0.12118603922703536,
"volume": 198.0426140921837,
"volume_molar": 4.969335410589541,
"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
"formula_anonymous": "A2B3C7D12",
"energy_above_hull": 2.6908795492816093,
"spacegroup": 8
},
{
"id": "jvasp-9270",
"created_at": "2022-09-04T14:38:32.010200Z",
"updated_at": "2022-09-04T14:38:32.010231Z",
"structure_string": "Mg4 Cr4 O8\n1.0\n2.908754 -0.293593 -0.201409\n-0.518660 8.847220 0.864092\n0.561294 0.721494 7.008191\nMg Cr O\n4 4 8\ndirect\n0.433723 0.901323 0.282508 Mg\n0.541229 0.117124 0.751832 Mg\n0.587954 0.210538 0.206003 Mg\n0.386943 0.807852 0.818219 Mg\n-0.211858 0.609892 0.566194 Cr\n0.778595 0.591718 0.161525 Cr\n0.201015 0.436062 0.860202 Cr\n0.182948 0.400830 0.458099 Cr\n0.610620 0.255761 0.490710 O\n0.784357 0.603125 0.859937 O\n0.194539 0.423229 0.176894 O\n0.361988 0.758056 0.538928 O\n-0.033389 0.967542 0.788105 O\n0.352176 0.739191 0.120583 O\n0.009198 0.052625 0.239001 O\n0.626047 0.285794 0.906875 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Cr",
"O"
],
"chemical_system": "Cr-Mg-O",
"density": 4.032110634692258,
"density_atomic": 0.0896840636432759,
"volume": 178.40404805519321,
"volume_molar": 6.714839309638612,
"formula_full": "Mg4 Cr4 O8",
"formula_reduced": "MgCrO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6416608625000002,
"spacegroup": 8
},
{
"id": "jvasp-119002",
"created_at": "2022-09-04T14:38:32.282099Z",
"updated_at": "2022-09-04T14:38:32.282119Z",
"structure_string": "Li4 Ti3 Mn3 Sn2 O16\n1.0\n6.022232 -0.027228 0.181367\n3.149006 5.133398 0.181367\n-0.075509 -0.042040 9.786537\nLi Ti Mn Sn O\n4 3 3 2 16\ndirect\n0.658696 0.658696 0.103179 Li\n0.995233 0.995232 0.010853 Li\n0.007399 0.007399 0.505781 Li\n0.334083 0.334083 0.599445 Li\n0.169214 0.169214 0.281156 Ti\n0.338511 0.832352 0.785275 Ti\n0.832352 0.338511 0.785275 Ti\n0.170020 0.660691 0.288319 Mn\n0.660691 0.170020 0.288319 Mn\n0.830687 0.830687 0.785701 Mn\n0.674037 0.674037 0.507511 Sn\n0.332864 0.332864 0.011017 Sn\n0.161196 0.161196 0.895927 O\n0.167636 0.679024 0.900911 O\n0.332160 0.332160 0.389600 O\n0.467883 0.023960 0.155497 O\n0.023960 0.467883 0.155497 O\n0.848827 0.848827 0.405648 O\n0.966934 0.505700 0.662062 O\n0.518610 0.518610 0.665007 O\n0.854330 0.333098 0.401357 O\n-0.001431 -0.001431 0.196450 O\n0.005591 0.005592 0.691222 O\n0.655587 0.655587 0.893962 O\n0.477051 0.477051 0.162868 O\n0.333099 0.854330 0.401357 O\n0.505700 0.966934 0.662062 O\n0.679023 0.167636 0.900911 O\n",
"nsites": 28,
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"elements": [
"Li",
"Ti",
"Mn",
"Sn",
"O"
],
"chemical_system": "Li-Mn-O-Sn-Ti",
"density": 4.539265094850843,
"density_atomic": 0.09226377403767662,
"volume": 303.4777223459988,
"volume_molar": 6.527091291042152,
"formula_full": "Li4 Ti3 Mn3 Sn2 O16",
"formula_reduced": "Li4Ti3Mn3(SnO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy_above_hull": 2.957897361576354,
"spacegroup": 8
},
{
"id": "jvasp-119003",
"created_at": "2022-09-04T14:38:32.326319Z",
"updated_at": "2022-09-04T14:38:32.326347Z",
"structure_string": "Li4 Nb3 Ni3 Te2 O16\n1.0\n6.075136 -0.078873 0.076096\n3.118806 5.214072 0.076096\n0.033874 0.018920 10.380062\nLi Nb Ni Te O\n4 3 3 2 16\ndirect\n0.665224 0.665223 0.901021 Li\n0.994103 0.994102 0.981743 Li\n0.994009 0.994008 0.501056 Li\n0.335393 0.335393 0.406413 Li\n0.843018 0.343983 0.219495 Nb\n0.343983 0.843017 0.219495 Nb\n0.181447 0.181447 0.731257 Nb\n0.657116 0.167750 0.715721 Ni\n0.167750 0.657116 0.715721 Ni\n0.828936 0.828935 0.210720 Ni\n0.670693 0.670692 0.518506 Te\n0.359965 0.359965 0.991649 Te\n0.144343 0.144343 0.100970 O\n0.685292 0.180040 0.088949 O\n0.324174 0.324174 0.602360 O\n0.013455 0.481729 0.835510 O\n0.481729 0.013456 0.835510 O\n0.834161 0.834160 0.603595 O\n0.482423 0.995506 0.323164 O\n0.507602 0.507602 0.321851 O\n0.331307 0.835798 0.603487 O\n0.002975 0.002975 0.800511 O\n0.994437 0.994436 0.314434 O\n0.661926 0.661925 0.101653 O\n0.484096 0.484096 0.847141 O\n0.835798 0.331307 0.603487 O\n0.995507 0.482422 0.323164 O\n0.180041 0.685291 0.088949 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Nb",
"Ni",
"Te",
"O"
],
"chemical_system": "Li-Nb-Ni-O-Te",
"density": 4.98033736107754,
"density_atomic": 0.08450626748531245,
"volume": 331.33637105515896,
"volume_molar": 7.126265233577704,
"formula_full": "Li4 Nb3 Ni3 Te2 O16",
"formula_reduced": "Li4Nb3Ni3(TeO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy_above_hull": 2.809713819047619,
"spacegroup": 8
},
{
"id": "jvasp-44635",
"created_at": "2022-09-04T14:38:32.907785Z",
"updated_at": "2022-09-04T14:38:32.907802Z",
"structure_string": "Al3 Cr3 Sb2 O16\n1.0\n5.734118 0.013401 0.008665\n2.843046 4.979784 0.009786\n0.081421 0.044729 9.273125\nAl Cr Sb O\n3 3 2 16\ndirect\n0.165018 0.164961 0.795278 Al\n0.337291 0.832857 0.295935 Al\n0.832758 0.337424 0.295939 Al\n0.166615 0.657498 0.783972 Cr\n0.657570 0.166502 0.783849 Cr\n0.832444 0.832626 0.273487 Cr\n0.330462 0.330630 0.504822 Sb\n0.658153 0.658046 0.012385 Sb\n0.326932 0.834336 0.895960 O\n0.677067 0.677223 0.389628 O\n0.966073 0.526377 0.160678 O\n0.526322 0.966109 0.160652 O\n0.163258 0.163390 0.395447 O\n0.830661 0.830549 0.891432 O\n0.477373 0.042191 0.666334 O\n-0.001671 -0.001750 0.697604 O\n0.671054 0.167682 0.396761 O\n0.001079 0.001175 0.197885 O\n0.522180 0.522264 0.171698 O\n0.333210 0.333016 0.894329 O\n0.481798 0.481724 0.661040 O\n0.167512 0.671228 0.396792 O\n0.042226 0.477322 0.666397 O\n0.834426 0.326812 0.895980 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Al",
"Cr",
"Sb",
"O"
],
"chemical_system": "Al-Cr-O-Sb",
"density": 4.624588502866509,
"density_atomic": 0.09076029831529618,
"volume": 264.4328020675444,
"volume_molar": 6.635214815049881,
"formula_full": "Al3 Cr3 Sb2 O16",
"formula_reduced": "Al3Cr3(SbO8)2",
"formula_anonymous": "A2B3C3D16",
"energy_above_hull": 3.1648516166666667,
"spacegroup": 8
},
{
"id": "jvasp-33963",
"created_at": "2022-09-04T14:38:33.080123Z",
"updated_at": "2022-09-04T14:38:33.080158Z",
"structure_string": "Te8 Mo6 S4\n1.0\n3.437467 -0.202386 0.000561\n1.198174 -8.946311 0.026049\n1.549550 -3.016114 -14.051972\nTe Mo S\n8 6 4\ndirect\n0.299756 0.009395 0.391154 Te\n0.029619 0.323827 0.616862 Te\n0.940691 0.237397 0.881138 Te\n0.058315 0.762871 0.120592 Te\n0.353664 0.673563 0.619040 Te\n0.265654 0.589509 0.879102 Te\n0.980408 0.657502 0.381751 Te\n0.738341 0.412308 0.111110 Te\n0.869880 0.511001 0.749188 Mo\n0.796274 0.155260 0.252258 Mo\n0.195930 0.858931 0.749120 Mo\n0.136308 0.482151 0.245317 Mo\n0.543295 0.164346 0.748987 Mo\n0.458141 0.828760 0.255025 Mo\n0.385674 0.077930 0.150799 S\n0.651923 0.346100 0.350149 S\n0.611306 0.919313 0.857970 S\n0.684818 0.989837 0.640438 S\n",
"nsites": 18,
"nelements": 3,
"elements": [
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"Mo",
"S"
],
"chemical_system": "Mo-S-Te",
"density": 6.6759015988346775,
"density_atomic": 0.041958482318996196,
"volume": 428.9954975766775,
"volume_molar": 14.352618176738837,
"formula_full": "Te8 Mo6 S4",
"formula_reduced": "Te4Mo3S2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 3.288398751851852,
"spacegroup": 8
},
{
"id": "jvasp-46701",
"created_at": "2022-09-04T14:38:33.313569Z",
"updated_at": "2022-09-04T14:38:33.313596Z",
"structure_string": "Li4 V3 Ni3 Sb2 O16\n1.0\n5.840201 -0.000217 0.001083\n-2.919994 5.087607 0.009213\n-0.001800 -0.074620 9.690303\nLi V Ni Sb O\n4 3 3 2 16\ndirect\n0.339464 0.678955 0.104712 Li\n-0.000520 -0.001023 0.011852 Li\n0.997332 0.994686 0.508706 Li\n0.667668 0.335331 0.595023 Li\n0.173972 0.819939 0.784066 V\n0.645934 0.819928 0.784076 V\n0.825137 0.650301 0.278239 V\n0.343976 0.176164 0.287360 Ni\n0.832167 0.176166 0.287359 Ni\n0.172346 0.344713 0.788642 Ni\n0.329556 0.659129 0.503939 Sb\n0.661432 0.322884 0.011321 Sb\n0.831735 0.663498 0.898008 O\n0.322586 0.151434 0.903599 O\n0.682871 0.365761 0.395009 O\n0.971465 0.499343 0.150989 O\n0.527851 0.499339 0.150986 O\n0.157965 0.315946 0.409557 O\n0.493609 0.529494 0.656979 O\n0.483392 0.966797 0.655037 O\n0.669475 0.827720 0.402578 O\n0.991225 0.982473 0.200352 O\n0.991983 0.983991 0.700263 O\n0.343740 0.687518 0.902062 O\n0.520420 0.040867 0.158267 O\n0.158224 0.827720 0.402581 O\n0.035874 0.529494 0.656980 O\n0.828825 0.151430 0.903600 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"V",
"Ni",
"Sb",
"O"
],
"chemical_system": "Li-Ni-O-Sb-V",
"density": 4.937849474931305,
"density_atomic": 0.09724833142973603,
"volume": 287.92267783258154,
"volume_molar": 6.192538906799778,
"formula_full": "Li4 V3 Ni3 Sb2 O16",
"formula_reduced": "Li4V3Ni3(SbO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy_above_hull": 2.717041714285714,
"spacegroup": 8
},
{
"id": "jvasp-118404",
"created_at": "2022-09-04T14:38:33.421040Z",
"updated_at": "2022-09-04T14:38:33.421065Z",
"structure_string": "H2 F2\n1.0\n2.938571 0.049391 0.221030\n-0.026356 -3.632066 -0.755762\n0.772228 -2.924700 -3.509973\nH F\n2 2\ndirect\n0.985799 0.047403 0.237534 H\n0.922844 0.484658 0.300509 H\n0.758308 0.541853 0.465042 F\n0.151005 0.430714 0.074073 F\n",
"nsites": 4,
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"elements": [
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],
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"density": 2.1045815473925575,
"density_atomic": 0.12670067884946098,
"volume": 31.570470153144072,
"volume_molar": 4.7530453780403095,
"formula_full": "H2 F2",
"formula_reduced": "HF",
"formula_anonymous": "AB",
"energy_above_hull": 0.0465701412499999,
"spacegroup": 8
},
{
"id": "jvasp-56700",
"created_at": "2022-09-04T14:38:33.969251Z",
"updated_at": "2022-09-04T14:38:33.969270Z",
"structure_string": "K3 V1 C1 O8\n1.0\n5.185447 0.027099 -2.094957\n-2.700529 5.801617 -0.228792\n0.009294 -0.008422 6.403420\nK V C O\n3 1 1 8\ndirect\n0.092111 0.598668 0.598668 K\n0.638294 0.349688 0.915170 K\n0.638294 0.915171 0.349688 K\n0.000157 0.000397 0.000397 V\n0.352207 0.341119 0.341119 C\n0.070397 0.251823 0.251822 O\n0.650226 0.894439 0.894438 O\n0.092780 0.027901 0.744470 O\n0.062799 0.814421 0.234673 O\n0.062798 0.234673 0.814421 O\n0.502160 0.510029 0.510028 O\n0.455476 0.240797 0.240797 O\n0.092780 0.744470 0.027901 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"K",
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"C",
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],
"chemical_system": "C-K-O-V",
"density": 2.6498094854776224,
"density_atomic": 0.06730024863075962,
"volume": 193.16421951609763,
"volume_molar": 8.948170151703685,
"formula_full": "K3 V1 C1 O8",
"formula_reduced": "K3VCO8",
"formula_anonymous": "ABC3D8",
"energy_above_hull": 2.4026289384615382,
"spacegroup": 8
},
{
"id": "jvasp-31151",
"created_at": "2022-09-04T14:38:34.036022Z",
"updated_at": "2022-09-04T14:38:34.036037Z",
"structure_string": "Na3 Hf1 F7\n1.0\n5.427409 -0.049342 -0.131006\n-0.049342 5.427409 -0.131006\n-2.321743 -2.321743 5.268914\nNa Hf F\n3 1 7\ndirect\n0.238178 0.774842 0.508998 Na\n0.483994 0.483994 0.953837 Na\n0.774842 0.238178 0.508998 Na\n0.952787 0.952787 0.972177 Hf\n0.145643 0.145643 0.837581 F\n0.106131 0.644388 0.773153 F\n0.329982 0.981035 0.249984 F\n0.644388 0.106131 0.773153 F\n0.624290 0.624290 0.709401 F\n0.981035 0.329982 0.249984 F\n0.843732 0.843732 0.212721 F\n",
"nsites": 11,
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"elements": [
"Na",
"Hf",
"F"
],
"chemical_system": "F-Hf-Na",
"density": 4.160055511647901,
"density_atomic": 0.07243479903226814,
"volume": 151.86070986542998,
"volume_molar": 8.313877915664909,
"formula_full": "Na3 Hf1 F7",
"formula_reduced": "Na3HfF7",
"formula_anonymous": "AB3C7",
"energy_above_hull": 0.0,
"spacegroup": 8
},
{
"id": "jvasp-9280",
"created_at": "2022-09-04T14:38:34.079309Z",
"updated_at": "2022-09-04T14:38:34.079323Z",
"structure_string": "Mg1 Bi4 O8\n1.0\n3.455903 0.019401 0.007905\n1.688373 6.758350 0.602944\n1.690295 2.892224 8.883738\nMg Bi O\n1 4 8\ndirect\n0.695431 0.858821 0.762058 Mg\n0.405367 0.716976 0.484295 Bi\n0.948646 0.259405 0.855403 Bi\n0.108546 0.663692 0.131086 Bi\n0.688654 0.210536 0.424234 Bi\n0.075077 0.483313 0.378646 O\n0.506212 0.846753 0.152746 O\n0.540450 0.201406 0.729695 O\n0.856644 0.593583 0.705192 O\n0.861505 -0.069010 0.358020 O\n0.147965 0.826241 0.889659 O\n0.225514 -0.023209 0.584395 O\n0.717582 0.440851 0.135774 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mg",
"Bi",
"O"
],
"chemical_system": "Bi-Mg-O",
"density": 8.158365955307305,
"density_atomic": 0.06463131720314239,
"volume": 201.1408797246041,
"volume_molar": 9.317682233013816,
"formula_full": "Mg1 Bi4 O8",
"formula_reduced": "Mg(BiO2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 1.9739203269230767,
"spacegroup": 8
}
]
}