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{
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"results": [
{
"id": "jvasp-51743",
"created_at": "2022-09-04T14:38:14.121156Z",
"updated_at": "2022-09-04T14:38:14.121174Z",
"structure_string": "Li8 H6 Cl2 O6\n1.0\n0.000000 5.352658 -0.068893\n7.300702 0.000000 0.000000\n0.000000 -0.390596 -6.130747\nLi H Cl O\n8 6 2 6\ndirect\n0.069679 0.750000 0.916117 Li\n0.930321 0.250000 0.083883 Li\n0.395820 0.750000 0.666388 Li\n0.604180 0.250000 0.333612 Li\n0.649200 0.516212 0.855478 Li\n0.350799 0.016212 0.144522 Li\n0.350799 0.483788 0.144522 Li\n0.649200 0.983788 0.855478 Li\n0.813685 0.957094 0.240026 H\n0.186315 0.457094 0.759974 H\n0.186315 0.042906 0.759974 H\n0.813685 0.542906 0.240026 H\n0.159185 0.250000 0.393009 H\n0.840815 0.750000 0.606991 H\n0.168741 0.750000 0.321517 Cl\n0.831258 0.250000 0.678483 Cl\n0.753202 0.750000 0.742929 O\n0.246797 0.250000 0.257071 O\n0.286995 0.547385 0.842207 O\n0.713004 0.047385 0.157793 O\n0.713004 0.452615 0.157793 O\n0.286995 0.952615 0.842207 O\n",
"nsites": 22,
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],
"chemical_system": "Cl-H-Li-O",
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"volume": 239.77477510832082,
"volume_molar": 6.563442938180239,
"formula_full": "Li8 H6 Cl2 O6",
"formula_reduced": "Li4H3ClO3",
"formula_anonymous": "AB3C3D4",
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"spacegroup": 11
},
{
"id": "jvasp-44771",
"created_at": "2022-09-04T14:38:11.401077Z",
"updated_at": "2022-09-04T14:38:11.401101Z",
"structure_string": "Li2 Co2 Sb2 O8\n1.0\n5.886000 0.000000 0.000000\n2.942999 5.394626 0.001302\n2.942999 1.799437 5.085668\nLi Co Sb O\n2 2 2 8\ndirect\n0.143227 0.106773 0.106773 Li\n0.856773 0.893228 0.893227 Li\n-0.000000 0.500001 0.500000 Co\n0.500000 0.500001 0.500000 Co\n0.500000 0.000000 0.500000 Sb\n0.500000 0.500000 -0.000000 Sb\n0.263817 0.253537 0.253537 O\n0.274735 0.243656 0.706876 O\n0.274735 0.706877 0.243655 O\n0.729110 0.253537 0.253537 O\n0.270890 0.746464 0.746463 O\n0.725265 0.756345 0.293123 O\n0.725265 0.293124 0.756344 O\n0.736182 0.746464 0.746463 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Co",
"Sb",
"O"
],
"chemical_system": "Co-Li-O-Sb",
"density": 5.175497380364196,
"density_atomic": 0.08670327856157728,
"volume": 161.4702492484999,
"volume_molar": 6.945689782333933,
"formula_full": "Li2 Co2 Sb2 O8",
"formula_reduced": "LiCoSbO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.267213,
"spacegroup": 74
},
{
"id": "jvasp-109466",
"created_at": "2022-09-04T14:38:07.494068Z",
"updated_at": "2022-09-04T14:38:07.494086Z",
"structure_string": "Rb1 Na2 As1 F6\n1.0\n5.660146 -0.000000 3.267887\n1.886715 5.336437 3.267887\n-0.000000 -0.000000 6.535774\nRb Na As F\n1 2 1 6\ndirect\n0.500001 0.500000 0.500000 Rb\n0.750001 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 As\n0.777987 0.222014 0.222014 F\n0.222014 0.222014 0.777986 F\n0.222015 0.777987 0.777986 F\n0.222015 0.777987 0.222014 F\n0.777987 0.222014 0.777986 F\n0.777987 0.777987 0.222014 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Na",
"As",
"F"
],
"chemical_system": "As-F-Na-Rb",
"density": 2.6947002651112766,
"density_atomic": 0.050655190538478584,
"volume": 197.4131356273119,
"volume_molar": 11.88849690620643,
"formula_full": "Rb1 Na2 As1 F6",
"formula_reduced": "RbNa2AsF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-47105",
"created_at": "2022-09-04T14:38:04.360486Z",
"updated_at": "2022-09-04T14:38:04.360497Z",
"structure_string": "Li1 Mn1 P1 O4\n1.0\n0.000000 4.825903 -0.000000\n2.412950 -2.412950 3.761581\n4.825903 -0.000000 0.000000\nLi Mn P O\n1 1 1 4\ndirect\n0.500000 -0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.750000 0.500000 0.750000 P\n0.451534 0.264231 0.060983 O\n0.674788 0.735769 0.451534 O\n0.812697 0.264231 0.674788 O\n0.060983 0.735769 0.812697 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 2.9730838135983366,
"density_atomic": 0.0799043540643659,
"volume": 87.60473796410696,
"volume_molar": 7.536686618039542,
"formula_full": "Li1 Mn1 P1 O4",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.547000963054187,
"spacegroup": 82
},
{
"id": "jvasp-17457",
"created_at": "2022-09-04T14:38:14.093431Z",
"updated_at": "2022-09-04T14:38:14.093458Z",
"structure_string": "Ba2 Mn3 Sb2 O2\n1.0\n4.059979 0.000000 -0.834982\n-0.171724 4.056346 -0.834982\n0.189065 0.197238 11.207326\nBa Mn Sb O\n2 3 2 2\ndirect\n0.585282 0.585282 0.170563 Ba\n0.414718 0.414719 0.829438 Ba\n0.000000 0.000000 0.000000 Mn\n0.750000 0.250000 0.500000 Mn\n0.250000 0.750001 0.500000 Mn\n0.175874 0.175874 0.351749 Sb\n0.824126 0.824127 0.648252 Sb\n0.000001 0.500001 0.000000 O\n0.500000 -0.000000 0.000000 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Ba",
"Mn",
"Sb",
"O"
],
"chemical_system": "Ba-Mn-O-Sb",
"density": 6.386326754026635,
"density_atomic": 0.0484112661427215,
"volume": 185.90713933130883,
"volume_molar": 12.439544014911933,
"formula_full": "Ba2 Mn3 Sb2 O2",
"formula_reduced": "Ba2Mn3(SbO)2",
"formula_anonymous": "A2B2C2D3",
"energy_above_hull": 2.539094762681992,
"spacegroup": 139
},
{
"id": "jvasp-46500",
"created_at": "2022-09-04T14:38:11.581319Z",
"updated_at": "2022-09-04T14:38:11.581349Z",
"structure_string": "Li1 Al2 Fe1 O6\n1.0\n4.901620 0.021512 -0.047411\n2.459826 4.239764 0.047411\n-0.883921 1.526993 4.885337\nLi Al Fe O\n1 2 1 6\ndirect\n0.500001 0.499999 0.500000 Li\n0.330954 0.330953 0.000000 Al\n0.669047 0.669045 0.000000 Al\n0.000000 0.000000 0.000000 Fe\n0.081412 0.595358 0.201090 O\n0.256625 0.743375 0.800979 O\n0.595360 0.081410 0.798910 O\n0.404642 0.918588 0.201090 O\n0.743377 0.256623 0.199022 O\n0.918591 0.404639 0.798910 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Li",
"Al",
"Fe",
"O"
],
"chemical_system": "Al-Fe-Li-O",
"density": 3.513201210881948,
"density_atomic": 0.09944743594974502,
"volume": 100.55563428556792,
"volume_molar": 6.0556018387877195,
"formula_full": "Li1 Al2 Fe1 O6",
"formula_reduced": "LiAl2FeO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.39655921,
"spacegroup": 12
},
{
"id": "jvasp-12708",
"created_at": "2022-09-04T14:38:07.506763Z",
"updated_at": "2022-09-04T14:38:07.506792Z",
"structure_string": "Mg2 Mo2 H4 O10\n1.0\n5.667948 0.009181 -0.026057\n-1.640674 5.612098 -0.005940\n-0.595630 -1.504828 6.727520\nMg Mo H O\n2 2 4 10\ndirect\n0.640799 0.708007 0.194465 Mg\n0.359202 0.291992 0.805535 Mg\n0.745062 0.879049 0.748405 Mo\n0.254939 0.120951 0.251595 Mo\n0.079249 0.597806 0.192478 H\n0.920752 0.402194 0.807521 H\n0.873208 0.351774 0.202004 H\n0.126793 0.648226 0.797996 H\n0.077603 0.967405 0.790143 O\n0.922398 0.032594 0.209857 O\n0.637999 0.767656 0.494474 O\n0.362002 0.232343 0.505526 O\n0.379097 0.359951 0.122809 O\n0.354226 0.862266 0.169724 O\n0.620904 0.640049 0.877190 O\n0.090178 0.469749 0.777870 O\n0.645775 0.137734 0.830276 O\n0.909823 0.530250 0.222130 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Mg",
"Mo",
"H",
"O"
],
"chemical_system": "H-Mg-Mo-O",
"density": 3.14038515707756,
"density_atomic": 0.08415324691806408,
"volume": 213.89549018263935,
"volume_molar": 7.156159721161402,
"formula_full": "Mg2 Mo2 H4 O10",
"formula_reduced": "MgMoH2O5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 2.711261383333333,
"spacegroup": 2
},
{
"id": "jvasp-32634",
"created_at": "2022-09-04T14:38:14.019605Z",
"updated_at": "2022-09-04T14:38:14.019626Z",
"structure_string": "Sb2 Cl2 O4 F12\n1.0\n5.737595 0.000000 0.000000\n0.000000 7.091002 0.172594\n0.000000 0.176385 7.126359\nSb Cl O F\n2 2 4 12\ndirect\n-0.007806 0.249999 0.750000 Sb\n0.007806 0.750000 0.250000 Sb\n0.629186 0.250000 0.250000 Cl\n0.370815 0.749999 0.750000 Cl\n0.499778 0.719025 0.918715 O\n0.500223 0.219026 0.418715 O\n0.500223 0.280974 0.081284 O\n0.499778 0.780974 0.581284 O\n0.756799 0.933242 0.212009 F\n0.001220 0.789651 0.513776 F\n0.243202 0.066757 0.787990 F\n-0.001220 0.289652 0.013777 F\n0.756799 0.566757 0.287990 F\n0.243202 0.433242 0.712010 F\n0.762713 0.057695 0.789493 F\n0.001220 0.710348 -0.013777 F\n0.237288 0.557695 0.289492 F\n0.762713 0.442304 0.710507 F\n-0.001220 0.210348 0.486223 F\n0.237288 0.942304 0.210507 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"Cl",
"O",
"F"
],
"chemical_system": "Cl-F-O-Sb",
"density": 3.4751054610638583,
"density_atomic": 0.06902183732302768,
"volume": 289.76336730067635,
"volume_molar": 8.724978924881272,
"formula_full": "Sb2 Cl2 O4 F12",
"formula_reduced": "SbCl(OF3)2",
"formula_anonymous": "ABC2D6",
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"spacegroup": 13
},
{
"id": "jvasp-9751",
"created_at": "2022-09-04T14:38:14.018240Z",
"updated_at": "2022-09-04T14:38:14.018259Z",
"structure_string": "Sm2 Ti2 S2 O5\n1.0\n3.781728 0.000000 -0.620395\n-0.101777 3.780357 -0.620395\n0.012562 0.012904 11.912865\nSm Ti S O\n2 2 2 5\ndirect\n0.833575 0.833576 0.667154 Sm\n0.166424 0.166424 0.332847 Sm\n0.421887 0.421886 0.843776 Ti\n0.578113 0.578113 0.156225 Ti\n0.295427 0.295427 0.590855 S\n0.704572 0.704573 0.409146 S\n0.401893 0.901894 0.803789 O\n0.901894 0.401893 0.803789 O\n0.598106 0.098106 0.196212 O\n0.098106 0.598106 0.196212 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 11,
"nelements": 4,
"elements": [
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"S",
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],
"chemical_system": "O-S-Sm-Ti",
"density": 5.268854069181805,
"density_atomic": 0.06456527133847549,
"volume": 170.37022801830807,
"volume_molar": 9.327213585814063,
"formula_full": "Sm2 Ti2 S2 O5",
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},
{
"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,
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"elements": [
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],
"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",
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},
{
"id": "jvasp-108858",
"created_at": "2022-09-04T14:38:27.109117Z",
"updated_at": "2022-09-04T14:38:27.109138Z",
"structure_string": "Rb2 Ga1 Au1 F6\n1.0\n5.354577 -0.000000 3.091467\n1.784859 5.048344 3.091467\n-0.000000 -0.000000 6.182933\nRb Ga Au F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750001 0.749999 0.750000 Rb\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Au\n0.219776 0.219776 0.780224 F\n0.219776 0.780224 0.780224 F\n0.780225 0.780224 0.219776 F\n0.219776 0.780224 0.219776 F\n0.780225 0.219776 0.780224 F\n0.780225 0.219776 0.219776 F\n",
"nsites": 10,
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"elements": [
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"Au",
"F"
],
"chemical_system": "Au-F-Ga-Rb",
"density": 5.480459576696344,
"density_atomic": 0.05983170112987193,
"volume": 167.1354785366004,
"volume_molar": 10.065133777373662,
"formula_full": "Rb2 Ga1 Au1 F6",
"formula_reduced": "Rb2GaAuF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-55728",
"created_at": "2022-09-04T14:38:08.646030Z",
"updated_at": "2022-09-04T14:38:08.646060Z",
"structure_string": "Rb4 H4 C4 O8\n1.0\n4.619222 -0.000000 0.000000\n0.000000 7.269219 0.000000\n0.000000 0.000000 9.194425\nRb H C O\n4 4 4 8\ndirect\n0.950764 0.500000 0.250000 Rb\n0.049236 0.000000 0.750000 Rb\n0.049236 0.500000 0.750000 Rb\n0.950764 0.000000 0.250000 Rb\n0.423095 0.750000 0.034951 H\n0.423095 0.250000 0.465049 H\n0.576905 0.750000 0.534951 H\n0.576905 0.250000 0.965050 H\n0.603920 0.250000 0.546084 C\n0.603920 0.750000 0.953917 C\n0.396080 0.750000 0.453916 C\n0.396080 0.250000 0.046084 C\n0.139486 0.250000 0.996677 O\n0.139486 0.750000 0.503324 O\n0.860514 0.250000 0.496677 O\n0.860514 0.750000 0.003323 O\n0.465017 0.250000 0.179745 O\n0.465017 0.750000 0.320255 O\n0.534982 0.750000 0.820256 O\n0.534982 0.250000 0.679745 O\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "C-H-O-Rb",
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"density_atomic": 0.06478117680701627,
"volume": 308.73165610405914,
"volume_molar": 9.296127450632786,
"formula_full": "Rb4 H4 C4 O8",
"formula_reduced": "RbHCO2",
"formula_anonymous": "ABCD2",
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"spacegroup": 57
}
]
}