HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-updated_at&page=1238",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-updated_at&page=1236",
"results": [
{
"id": "jvasp-109627",
"created_at": "2022-09-04T14:38:07.614916Z",
"updated_at": "2022-09-04T14:38:07.614938Z",
"structure_string": "Ba2 Yb1 U1 O6\n1.0\n5.325374 -0.000000 3.074606\n1.775125 5.020811 3.074606\n-0.000000 -0.000000 6.149212\nYb Ba U O\n1 2 1 6\ndirect\n0.499999 0.500000 0.500001 Yb\n0.250000 0.250000 0.250000 Ba\n0.749999 0.750000 0.750001 Ba\n0.000000 0.000000 0.000000 U\n0.759761 0.240238 0.240239 O\n0.240238 0.759762 0.759762 O\n0.240238 0.759762 0.240239 O\n0.759761 0.240238 0.759762 O\n0.240238 0.240238 0.759762 O\n0.759760 0.759762 0.240240 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Yb",
"Ba",
"U",
"O"
],
"chemical_system": "Ba-O-U-Yb",
"density": 7.8950790807737246,
"density_atomic": 0.06082141881870798,
"volume": 164.41576329890077,
"volume_molar": 9.901348697488222,
"formula_full": "Ba2 Yb1 U1 O6",
"formula_reduced": "Ba2YbUO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.948357964,
"spacegroup": 225
},
{
"id": "jvasp-36794",
"created_at": "2022-09-04T14:38:07.612122Z",
"updated_at": "2022-09-04T14:38:07.612149Z",
"structure_string": "Tl2 Au2 O4\n1.0\n1.758036 -3.045008 0.000000\n1.758036 3.045008 -0.000000\n-0.000000 -0.000000 12.615634\nTl Au O\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Tl\n0.000000 0.000000 0.500000 Tl\n0.666668 0.333334 0.750000 Au\n0.333334 0.666668 0.250000 Au\n0.666668 0.333334 0.589512 O\n0.333334 0.666668 0.089512 O\n0.666668 0.333334 0.910487 O\n0.333334 0.666668 0.410488 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Tl",
"Au",
"O"
],
"chemical_system": "Au-O-Tl",
"density": 10.655192041349473,
"density_atomic": 0.05922904202575319,
"volume": 135.0688737548979,
"volume_molar": 10.167547125583312,
"formula_full": "Tl2 Au2 O4",
"formula_reduced": "TlAuO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0228342924999998,
"spacegroup": 194
},
{
"id": "jvasp-36924",
"created_at": "2022-09-04T14:38:07.611852Z",
"updated_at": "2022-09-04T14:38:07.611875Z",
"structure_string": "Rb1 Tl1 Br3\n1.0\n5.769630 -0.005088 -0.008659\n-0.011231 5.766023 0.003272\n-0.009355 0.002510 5.766015\nRb Tl Br\n1 1 3\ndirect\n-0.015469 0.010341 0.009176 Rb\n0.514115 0.501351 0.499307 Tl\n0.522611 0.499477 -0.001438 Br\n0.016365 0.498145 0.495910 Br\n0.522378 0.000683 0.497044 Br\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"Tl",
"Br"
],
"chemical_system": "Br-Rb-Tl",
"density": 4.584253461983837,
"density_atomic": 0.026065845257273755,
"volume": 191.8219014441795,
"volume_molar": 23.103569826953926,
"formula_full": "Rb1 Tl1 Br3",
"formula_reduced": "RbTlBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0053520000000003,
"spacegroup": 8
},
{
"id": "jvasp-45858",
"created_at": "2022-09-04T14:38:07.611214Z",
"updated_at": "2022-09-04T14:38:07.611250Z",
"structure_string": "Li4 V4 F14\n1.0\n5.299817 0.036181 0.119089\n0.967528 6.788836 -0.007169\n2.617109 2.399392 7.909272\nLi V F\n4 4 14\ndirect\n0.142213 0.433091 0.261901 Li\n0.594868 0.256163 0.336075 Li\n0.405134 0.743837 0.663924 Li\n0.857788 0.566909 0.738099 Li\n0.295386 -0.003361 0.180113 V\n0.778697 0.771892 0.300437 V\n0.221304 0.228108 0.699563 V\n0.704615 0.003360 0.819887 V\n0.307303 0.094710 0.928058 F\n0.105336 0.943432 0.724621 F\n0.230046 0.506261 0.718033 F\n0.778640 0.673867 0.534819 F\n0.605915 0.135856 0.602882 F\n0.394086 0.864144 0.397118 F\n0.692698 0.905290 0.071942 F\n0.769955 0.493739 0.281967 F\n0.894665 0.056568 0.275378 F\n0.825747 0.277127 0.804040 F\n0.174254 0.722874 0.195959 F\n0.408146 0.261378 0.167827 F\n0.221361 0.326134 0.465181 F\n0.591855 0.738622 0.832173 F\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 2.92387523655109,
"density_atomic": 0.07786327415164696,
"volume": 282.5465566366073,
"volume_molar": 7.7342506150861885,
"formula_full": "Li4 V4 F14",
"formula_reduced": "Li2V2F7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 0.7336745797727274,
"spacegroup": 2
},
{
"id": "jvasp-44691",
"created_at": "2022-09-04T14:38:07.609589Z",
"updated_at": "2022-09-04T14:38:07.609610Z",
"structure_string": "Li4 Fe2 Cu2 O8\n1.0\n5.990745 -0.620264 -0.002689\n-0.254475 6.017391 -0.002689\n-2.869722 -2.700056 3.940587\nLi Fe Cu O\n4 2 2 8\ndirect\n0.000001 0.500000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.500000 0.000000 -0.000000 Li\n0.500000 0.500000 -0.000000 Li\n0.000000 0.500000 -0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 -0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.265577 0.734384 0.014461 O\n0.274725 0.194575 0.484657 O\n0.265616 0.734423 0.485539 O\n0.805424 0.725276 0.015343 O\n0.194576 0.274724 0.984658 O\n0.734384 0.265577 0.514461 O\n0.725276 0.805425 0.515343 O\n0.734424 0.265616 0.985540 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Cu",
"O"
],
"chemical_system": "Cu-Fe-Li-O",
"density": 4.635470903332879,
"density_atomic": 0.11320676584712344,
"volume": 141.33430877803454,
"volume_molar": 5.319594385491423,
"formula_full": "Li4 Fe2 Cu2 O8",
"formula_reduced": "Li2FeCuO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.84891999375,
"spacegroup": 74
},
{
"id": "jvasp-18153",
"created_at": "2022-09-04T14:38:07.607590Z",
"updated_at": "2022-09-04T14:38:07.607606Z",
"structure_string": "Ho2 Ti2 Ge2\n1.0\n4.028316 0.000000 0.000000\n0.000000 4.028316 0.000000\n0.000000 0.000000 7.610870\nHo Ti Ge\n2 2 2\ndirect\n0.500000 0.000000 0.343396 Ho\n0.000000 0.500000 0.656604 Ho\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.000000 Ti\n0.000000 0.500000 0.247977 Ge\n0.500000 0.000000 0.752023 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ho",
"Ti",
"Ge"
],
"chemical_system": "Ge-Ho-Ti",
"density": 7.6755319123862,
"density_atomic": 0.048581384102368334,
"volume": 123.50409752338656,
"volume_molar": 12.395984328710023,
"formula_full": "Ho2 Ti2 Ge2",
"formula_reduced": "HoTiGe",
"formula_anonymous": "ABC",
"energy_above_hull": 1.5505699499999996,
"spacegroup": 129
},
{
"id": "jvasp-37290",
"created_at": "2022-09-04T14:38:07.595095Z",
"updated_at": "2022-09-04T14:38:07.595113Z",
"structure_string": "Sm2 Zn1 Ga1\n1.0\n-0.000000 3.628562 3.628562\n3.628562 0.000000 3.628562\n3.628562 3.628562 -0.000000\nSm Zn Ga\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Sm\n0.750001 0.750001 0.750001 Zn\n0.250000 0.250000 0.250000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sm",
"Zn",
"Ga"
],
"chemical_system": "Ga-Sm-Zn",
"density": 7.574509255677726,
"density_atomic": 0.04186261477875754,
"volume": 95.55064873849521,
"volume_molar": 14.385486410313364,
"formula_full": "Sm2 Zn1 Ga1",
"formula_reduced": "Sm2ZnGa",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5311320781249999,
"spacegroup": 225
},
{
"id": "jvasp-29304",
"created_at": "2022-09-04T14:38:07.589878Z",
"updated_at": "2022-09-04T14:38:07.589908Z",
"structure_string": "Nb12 Si4 Te24\n1.0\n6.442061 -0.000000 0.000000\n0.000000 11.661681 0.000000\n0.000000 0.000000 14.238720\nNb Si Te\n12 4 24\ndirect\n0.168792 0.835104 0.250000 Nb\n0.668792 0.664895 0.250000 Nb\n0.331208 0.335105 0.750000 Nb\n0.831208 0.164895 0.750000 Nb\n0.695932 0.967882 0.250000 Nb\n0.195932 0.532118 0.250000 Nb\n0.804068 0.467882 0.750000 Nb\n0.304068 0.032118 0.750000 Nb\n0.969140 0.312052 0.250000 Nb\n0.469140 0.187948 0.250000 Nb\n0.530860 0.812052 0.750000 Nb\n0.030860 0.687948 0.750000 Nb\n0.924500 0.925212 0.750000 Si\n0.424500 0.574788 0.750000 Si\n0.575500 0.425212 0.250000 Si\n0.075500 0.074788 0.250000 Si\n0.144791 0.497694 0.879038 Te\n0.644791 0.002306 0.620962 Te\n0.644791 0.002306 0.879038 Te\n0.144791 0.497694 0.620962 Te\n0.855208 0.502306 0.120962 Te\n0.355208 0.997694 0.379038 Te\n0.796420 0.156318 0.117334 Te\n0.296421 0.343682 0.382666 Te\n0.703579 0.656318 0.882666 Te\n0.203579 0.843682 0.617334 Te\n0.203579 0.843682 0.882666 Te\n0.151087 0.182081 0.884137 Te\n0.296421 0.343682 0.117334 Te\n0.796420 0.156318 0.382666 Te\n0.848913 0.817919 0.115863 Te\n0.348913 0.682081 0.384137 Te\n0.651087 0.317919 0.884137 Te\n0.151087 0.182081 0.615863 Te\n0.855208 0.502306 0.379038 Te\n0.651087 0.317919 0.615863 Te\n0.348913 0.682081 0.115863 Te\n0.848913 0.817919 0.384137 Te\n0.703579 0.656318 0.617334 Te\n0.355208 0.997694 0.120962 Te\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Nb",
"Si",
"Te"
],
"chemical_system": "Nb-Si-Te",
"density": 6.659027879639097,
"density_atomic": 0.037394097091755625,
"volume": 1069.6875472577972,
"volume_molar": 16.104522447014016,
"formula_full": "Nb12 Si4 Te24",
"formula_reduced": "Nb3SiTe6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 2.96049034,
"spacegroup": 62
},
{
"id": "jvasp-46801",
"created_at": "2022-09-04T14:38:07.589493Z",
"updated_at": "2022-09-04T14:38:07.589519Z",
"structure_string": "Li1 Mn5 Cu2 O12\n1.0\n5.004693 -0.022078 -0.041574\n2.110849 4.537814 0.041574\n-0.507912 0.800328 9.001447\nLi Mn Cu O\n1 5 2 12\ndirect\n0.920365 0.920364 0.750000 Li\n0.085399 0.085399 0.250000 Mn\n0.423444 0.423444 0.250000 Mn\n0.575756 0.575755 0.750000 Mn\n0.512219 -0.003153 0.510644 Mn\n-0.003153 0.512219 0.989357 Mn\n0.244254 0.244254 0.750000 Cu\n0.753467 0.753466 0.250000 Cu\n0.666031 0.799681 0.885212 O\n0.761672 0.420279 0.144752 O\n0.746932 0.083157 0.355947 O\n0.420280 0.761672 0.355248 O\n0.553034 0.261825 0.636304 O\n0.083158 0.746931 0.144053 O\n0.261825 0.553034 0.863696 O\n0.316931 0.189222 0.122215 O\n0.916900 0.269278 0.861219 O\n0.189222 0.316931 0.377785 O\n0.269278 0.916899 0.638782 O\n0.799682 0.666030 0.614788 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Cu",
"O"
],
"chemical_system": "Cu-Li-Mn-O",
"density": 4.877488330250846,
"density_atomic": 0.09779303387213156,
"volume": 204.51354465749398,
"volume_molar": 6.158046766269873,
"formula_full": "Li1 Mn5 Cu2 O12",
"formula_reduced": "LiMn5(CuO6)2",
"formula_anonymous": "AB2C5D12",
"energy_above_hull": 3.082655455344827,
"spacegroup": 5
},
{
"id": "jvasp-18300",
"created_at": "2022-09-04T14:38:07.588125Z",
"updated_at": "2022-09-04T14:38:07.588152Z",
"structure_string": "Fe4 Si2\n1.0\n1.966512 -3.406099 0.000000\n1.966512 3.406099 -0.000000\n0.000000 0.000000 4.848120\nFe Si\n4 2\ndirect\n0.333332 0.666667 0.321763 Fe\n0.666667 0.333332 0.678237 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.666667 0.333332 0.182141 Si\n0.333332 0.666667 0.817859 Si\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Fe",
"Si"
],
"chemical_system": "Fe-Si",
"density": 7.147479581385503,
"density_atomic": 0.0923834179806994,
"volume": 64.94672021394045,
"volume_molar": 6.518638183811445,
"formula_full": "Fe4 Si2",
"formula_reduced": "Fe2Si",
"formula_anonymous": "AB2",
"energy_above_hull": 2.853866533333333,
"spacegroup": 164
},
{
"id": "jvasp-44688",
"created_at": "2022-09-04T14:38:07.587016Z",
"updated_at": "2022-09-04T14:38:07.587042Z",
"structure_string": "V4 Co2 O12\n1.0\n6.655110 -0.029646 -0.100136\n-0.711790 6.617002 0.100136\n-1.447066 1.305588 5.433424\nV Co O\n4 2 12\ndirect\n0.202490 0.609708 0.760995 V\n0.390292 0.797509 0.260995 V\n0.609708 0.202490 0.739004 V\n0.797509 0.390291 0.239004 V\n0.082236 0.082237 0.749999 Co\n0.917763 0.917762 0.250000 Co\n0.807405 0.029443 0.858663 O\n0.621739 0.344376 0.434897 O\n0.628558 0.915432 0.271317 O\n0.655623 0.378261 0.934896 O\n0.344376 0.621739 0.065103 O\n0.192594 0.970557 0.141336 O\n0.378261 0.655624 0.565102 O\n0.915432 0.628558 0.228683 O\n0.084567 0.371441 0.771316 O\n0.029443 0.807406 0.641336 O\n0.371441 0.084567 0.728682 O\n0.970557 0.192594 0.358663 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"V",
"Co",
"O"
],
"chemical_system": "Co-O-V",
"density": 3.5922725707064074,
"density_atomic": 0.07581347000874822,
"volume": 237.4248269855338,
"volume_molar": 7.943365155697395,
"formula_full": "V4 Co2 O12",
"formula_reduced": "V2CoO6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.2464500333333337,
"spacegroup": 15
},
{
"id": "jvasp-44148",
"created_at": "2022-09-04T14:38:07.586649Z",
"updated_at": "2022-09-04T14:38:07.586680Z",
"structure_string": "Mn6 O4 F8\n1.0\n5.618568 0.048593 -0.036348\n1.762571 5.445505 -0.001944\n2.059452 1.549032 6.839482\nMn O F\n6 4 8\ndirect\n0.704172 0.672796 0.838644 Mn\n0.308056 0.367807 0.684366 Mn\n0.691944 0.632192 0.315634 Mn\n0.295829 0.327202 0.161356 Mn\n-0.000000 -0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.969206 0.331541 0.330121 O\n0.794140 0.760944 0.036644 O\n0.030795 0.668457 0.669879 O\n0.205860 0.239054 0.963356 O\n0.332216 0.708468 0.983829 F\n0.391186 0.938956 0.336645 F\n0.926585 0.878133 0.301424 F\n0.596022 0.571913 0.626705 F\n0.073416 0.121866 0.698576 F\n0.403979 0.428085 0.373295 F\n0.608814 0.061042 0.663355 F\n0.667784 0.291530 0.016171 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.334991030298987,
"density_atomic": 0.08612452214806267,
"volume": 208.9997082254337,
"volume_molar": 6.992364787402731,
"formula_full": "Mn6 O4 F8",
"formula_reduced": "Mn3(OF2)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 1.9811377615708807,
"spacegroup": 2
}
]
}