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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=225",
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"results": [
{
"id": "jvasp-112668",
"created_at": "2022-09-04T14:38:43.191355Z",
"updated_at": "2022-09-04T14:38:43.191381Z",
"structure_string": "Li4 Co1 Te1 O6\n1.0\n5.106866 0.002294 0.911144\n-2.762661 4.295090 0.911144\n-0.000811 -0.001486 5.141744\nLi Co Te O\n4 1 1 6\ndirect\n0.825427 0.174572 0.499999 Li\n0.173703 0.826296 0.499999 Li\n0.501565 0.498434 0.499999 Li\n0.666044 0.333956 -0.000001 Li\n0.334814 0.665186 -0.000001 Co\n-0.000441 0.000441 -0.000000 Te\n0.084057 0.393334 0.763287 O\n0.386356 0.071204 0.762569 O\n0.928795 0.613643 0.237430 O\n0.606666 0.915942 0.236711 O\n0.230589 0.237572 0.227259 O\n0.762428 0.769410 0.772739 O\n",
"nsites": 12,
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"volume": 112.82773515558947,
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"formula_full": "Li4 Co1 Te1 O6",
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{
"id": "jvasp-112046",
"created_at": "2022-09-04T14:38:43.441912Z",
"updated_at": "2022-09-04T14:38:43.441930Z",
"structure_string": "Ti1 H2 C2 O6\n1.0\n4.411506 0.047577 1.967591\n1.334529 4.668161 2.811450\n0.137724 0.131865 5.606368\nTi H C O\n1 2 2 6\ndirect\n0.476893 0.238163 0.013433 Ti\n0.002412 0.672661 0.039018 H\n0.948981 0.212086 0.577420 H\n0.565502 0.791207 0.554846 C\n0.388020 0.696898 0.460514 C\n0.093047 0.465755 0.153744 O\n0.859813 0.097956 0.785066 O\n0.627687 0.036163 0.372395 O\n0.631193 0.624095 0.793618 O\n0.325995 0.879238 0.215494 O\n0.322265 0.458171 0.627628 O\n",
"nsites": 11,
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],
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"density_atomic": 0.0977224988583792,
"volume": 112.56363814377436,
"volume_molar": 6.162491575995585,
"formula_full": "Ti1 H2 C2 O6",
"formula_reduced": "TiH2(CO3)2",
"formula_anonymous": "AB2C2D6",
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"spacegroup": 5
},
{
"id": "jvasp-112171",
"created_at": "2022-09-04T14:38:43.823176Z",
"updated_at": "2022-09-04T14:38:43.823195Z",
"structure_string": "Cd1 H6 C5 O4\n1.0\n4.140147 -0.000645 -0.000155\n-2.069610 4.468909 -1.078181\n0.000212 -0.568755 8.065015\nCd H C O\n1 6 5 4\ndirect\n0.016795 0.494192 0.237074 Cd\n0.712220 0.372428 0.549327 H\n0.638756 0.107251 0.668134 H\n0.377650 0.610982 0.667527 H\n0.833977 0.615914 0.924800 H\n0.260779 0.377303 0.806597 H\n0.025712 0.881060 0.805974 H\n0.953210 0.067031 0.458533 C\n0.836238 0.255833 0.604555 C\n0.162227 0.494148 0.737060 C\n0.074600 0.732486 0.869560 C\n0.380415 0.921302 0.015574 C\n0.137944 0.188360 0.350689 O\n0.873940 0.791089 0.453638 O\n0.577138 0.197223 0.020446 O\n0.443792 0.799994 0.123433 O\n",
"nsites": 16,
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"elements": [
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],
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"density": 2.745623485919137,
"density_atomic": 0.10908943195027732,
"volume": 146.66865262707353,
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"formula_full": "Cd1 H6 C5 O4",
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"formula_anonymous": "AB4C5D6",
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"spacegroup": 5
},
{
"id": "jvasp-112241",
"created_at": "2022-09-04T14:38:44.049419Z",
"updated_at": "2022-09-04T14:38:44.049446Z",
"structure_string": "H14 C6 O5\n1.0\n6.174766 -0.037485 -1.648376\n1.951018 5.858554 -1.648376\n0.240013 0.171938 5.002592\nH C O\n14 6 5\ndirect\n0.211251 0.014405 0.666616 H\n0.316439 0.591561 0.109893 H\n0.240617 0.312998 0.293481 H\n0.687003 0.759383 0.706517 H\n0.024105 0.813116 0.814072 H\n0.186884 0.975894 0.185926 H\n0.521357 0.278787 0.673803 H\n0.408439 0.683562 0.890105 H\n0.688481 0.090255 0.110717 H\n0.909746 0.311520 0.889281 H\n0.562253 0.958483 0.279793 H\n0.041517 0.437748 0.720205 H\n0.985596 0.788749 0.333382 H\n0.721214 0.478644 0.326196 H\n0.552432 0.298660 0.472977 C\n0.701341 0.447568 0.527021 C\n0.668931 0.066746 0.314126 C\n0.933255 0.331070 0.685873 C\n0.053146 0.098318 0.536400 C\n0.901683 0.946854 0.463598 C\n0.589692 0.661850 0.683148 O\n0.283264 0.716736 -0.000001 O\n0.107964 0.128614 0.284522 O\n0.871387 0.892037 0.715476 O\n0.338150 0.410308 0.316851 O\n",
"nsites": 25,
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"elements": [
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],
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"density_atomic": 0.13523354610076077,
"volume": 184.86537342866706,
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"formula_full": "H14 C6 O5",
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},
{
"id": "jvasp-116689",
"created_at": "2022-09-04T14:38:44.470708Z",
"updated_at": "2022-09-04T14:38:44.470733Z",
"structure_string": "La4 U2 Te10\n1.0\n10.000007 -0.026066 0.120403\n8.033670 5.954911 0.120403\n0.001799 0.000591 8.971282\nLa U Te\n4 2 10\ndirect\n0.254106 0.249022 0.269158 La\n0.595808 0.581031 0.260899 La\n0.750979 0.745894 0.730841 La\n0.418969 0.404192 0.739100 La\n0.899896 0.935983 0.262929 U\n0.064017 0.100105 0.737070 U\n0.248375 0.241805 0.638361 Te\n0.921867 0.915240 0.628694 Te\n0.571354 0.593788 0.638820 Te\n0.758196 0.751625 0.361638 Te\n0.406212 0.428646 0.361179 Te\n0.084759 0.078133 0.371305 Te\n0.585251 0.050468 0.003083 Te\n0.242900 0.757100 -0.000000 Te\n0.949532 0.414749 0.996916 Te\n0.747796 0.252205 -0.000000 Te\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"U",
"Te"
],
"chemical_system": "La-Te-U",
"density": 7.147780005665973,
"density_atomic": 0.02984465293377378,
"volume": 536.1094342596143,
"volume_molar": 20.178290474221026,
"formula_full": "La4 U2 Te10",
"formula_reduced": "La2UTe5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 1.923006854166667,
"spacegroup": 5
},
{
"id": "jvasp-112834",
"created_at": "2022-09-04T14:38:44.220185Z",
"updated_at": "2022-09-04T14:38:44.220200Z",
"structure_string": "Li5 Fe5 Cu2 O12\n1.0\n5.032818 -0.047152 0.331781\n-2.336519 4.457820 0.331781\n0.097385 0.159304 9.504516\nLi Fe Cu O\n5 5 2 12\ndirect\n0.834741 0.666468 0.258446 Li\n0.682140 0.858181 0.739216 Li\n0.333531 0.165259 0.741554 Li\n0.141818 0.317859 0.260785 Li\n0.081109 0.918889 0.500000 Li\n0.922410 0.077590 -0.000000 Fe\n-0.008004 0.515812 0.741220 Fe\n0.484187 0.008003 0.258780 Fe\n0.583217 0.416783 -0.000000 Fe\n0.419467 0.580531 0.500000 Fe\n0.252467 0.747533 -0.000000 Cu\n0.750661 0.249339 0.500000 Cu\n0.203615 0.043458 0.123953 O\n0.075013 0.249071 0.612336 O\n0.750928 0.924986 0.387665 O\n0.845176 0.326719 0.129686 O\n0.673281 0.154824 0.870314 O\n0.697952 0.539509 0.622844 O\n0.460490 0.302047 0.377156 O\n0.581097 0.744269 0.111049 O\n0.255730 0.418902 0.888951 O\n0.352095 0.829672 0.629529 O\n0.170327 0.647903 0.370471 O\n0.956541 0.796384 0.876048 O\n",
"nsites": 24,
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"elements": [
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],
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"density": 4.966307453019393,
"density_atomic": 0.11339186085325795,
"volume": 211.65540294870678,
"volume_molar": 5.310910954881797,
"formula_full": "Li5 Fe5 Cu2 O12",
"formula_reduced": "Li5Fe5(CuO6)2",
"formula_anonymous": "A2B5C5D12",
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"spacegroup": 5
},
{
"id": "jvasp-116667",
"created_at": "2022-09-04T14:38:44.273542Z",
"updated_at": "2022-09-04T14:38:44.273570Z",
"structure_string": "Na1 Li3 V4 O12\n1.0\n6.499923 0.061950 1.773873\n0.547235 6.477142 1.773873\n0.019981 0.018541 5.862891\nNa Li V O\n1 3 4 12\ndirect\n0.713444 0.286556 -0.000000 Na\n0.921292 0.078707 0.500000 Li\n0.088809 0.911190 -0.000000 Li\n0.272270 0.727729 0.500000 Li\n0.806725 0.618355 0.503387 V\n0.381644 0.193274 0.496613 V\n0.191346 0.379768 0.996589 V\n0.620231 0.808653 0.003410 V\n0.224970 0.000771 0.590448 O\n0.999228 0.775029 0.409551 O\n0.656420 0.635172 0.803543 O\n0.364827 0.343579 0.196456 O\n0.333377 0.377566 0.687994 O\n0.625829 0.093358 0.456795 O\n0.384170 0.930545 0.025284 O\n0.069454 0.615829 0.974716 O\n0.019838 0.202960 0.104232 O\n0.906641 0.374170 0.543204 O\n0.622433 0.666622 0.312005 O\n0.797038 0.980161 0.895767 O\n",
"nsites": 20,
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"elements": [
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],
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"density": 2.964632508153216,
"density_atomic": 0.08123106915755933,
"volume": 246.21121213124903,
"volume_molar": 7.413592880723006,
"formula_full": "Na1 Li3 V4 O12",
"formula_reduced": "NaLi3V4O12",
"formula_anonymous": "AB3C4D12",
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"spacegroup": 5
},
{
"id": "jvasp-113063",
"created_at": "2022-09-04T14:38:44.423854Z",
"updated_at": "2022-09-04T14:38:44.423884Z",
"structure_string": "Rb2 Al2 Si6 O16\n1.0\n7.741951 -0.049935 1.952633\n-3.639965 6.833078 1.952633\n0.021079 0.034856 7.200275\nRb Al Si O\n2 2 6 16\ndirect\n0.286071 0.297962 0.855782 Rb\n0.702038 0.713929 0.144216 Rb\n0.596503 0.834180 0.659533 Al\n0.165820 0.403497 0.340465 Al\n0.800305 0.178731 0.224552 Si\n0.196872 0.811883 0.780146 Si\n0.188117 0.803128 0.219853 Si\n0.400199 0.160070 0.341978 Si\n0.839929 0.599801 0.658020 Si\n0.821269 0.199695 0.775447 Si\n0.968451 0.705885 0.405529 O\n0.337795 0.713977 0.748267 O\n0.738212 0.360015 0.733351 O\n0.353089 0.339604 0.279243 O\n0.660396 0.646911 0.720756 O\n0.706808 0.957582 0.391401 O\n0.294115 0.031548 0.594470 O\n0.326459 0.019179 0.215768 O\n0.152168 0.847832 -0.000000 O\n0.842345 0.157654 -0.000000 O\n0.007576 0.333790 0.213792 O\n0.286023 0.662205 0.251732 O\n0.980820 0.673541 0.784231 O\n0.666210 -0.007576 0.786207 O\n0.042418 0.293191 0.608597 O\n0.639985 0.261788 0.266648 O\n",
"nsites": 26,
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"elements": [
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],
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"density_atomic": 0.06868538211504693,
"volume": 378.5376043544522,
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"formula_full": "Rb2 Al2 Si6 O16",
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"spacegroup": 5
},
{
"id": "jvasp-116818",
"created_at": "2022-09-04T14:38:44.497564Z",
"updated_at": "2022-09-04T14:38:44.497589Z",
"structure_string": "Li2 Fe4 O2 F10\n1.0\n8.785104 -0.017496 1.436223\n-7.509800 4.558647 1.436223\n-0.000167 -0.000594 5.288120\nLi Fe O F\n2 4 2 10\ndirect\n0.453843 0.546157 0.499999 Li\n0.220774 0.779226 -0.000001 Li\n0.963495 0.036504 0.500000 Fe\n0.620669 0.379331 0.500000 Fe\n0.288311 0.711690 0.499999 Fe\n0.042922 0.957079 -0.000001 Fe\n0.273116 0.193768 0.551120 O\n0.806232 0.726884 0.448879 O\n0.628841 0.868418 0.499050 F\n0.965545 0.554945 0.464575 F\n0.131583 0.371160 0.500948 F\n0.088008 0.507386 0.904617 F\n0.445055 0.034455 0.535424 F\n0.193661 0.266633 0.048548 F\n0.395634 0.138871 0.949562 F\n0.492615 0.911993 0.095381 F\n0.861129 0.604366 0.050437 F\n0.733367 0.806339 0.951450 F\n",
"nsites": 18,
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"elements": [
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],
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"density_atomic": 0.08526772276602457,
"volume": 211.09980911994293,
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"formula_full": "Li2 Fe4 O2 F10",
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"spacegroup": 5
},
{
"id": "jvasp-112856",
"created_at": "2022-09-04T14:38:44.692798Z",
"updated_at": "2022-09-04T14:38:44.692825Z",
"structure_string": "Na1 Li1 Fe2 Si4 O12\n1.0\n6.275517 0.023679 1.542067\n0.293293 6.268705 1.542067\n-0.018976 -0.018177 5.296918\nNa Li Fe Si O\n1 1 2 4 12\ndirect\n0.295626 0.704372 0.500001 Na\n0.744260 0.255740 0.000001 Li\n0.907575 0.092425 0.500001 Fe\n0.097856 0.902143 0.000001 Fe\n0.793741 0.612058 0.499929 Si\n0.616391 0.800306 0.989500 Si\n0.387941 0.206259 0.500073 Si\n0.199693 0.383608 0.010503 Si\n0.092593 0.620993 0.942966 O\n0.348147 0.372070 0.225478 O\n0.630511 0.109871 0.420720 O\n0.359104 0.345885 0.729684 O\n0.627929 0.651852 0.774524 O\n0.800151 0.978448 0.878880 O\n0.654115 0.640895 0.270318 O\n0.890129 0.369489 0.579282 O\n0.192568 0.038875 0.596900 O\n0.961125 0.807431 0.403102 O\n0.379006 0.907406 0.057036 O\n0.021551 0.199848 0.121122 O\n",
"nsites": 20,
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"elements": [
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],
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"density": 3.5484354426570692,
"density_atomic": 0.0958354562331816,
"volume": 208.6910292505635,
"volume_molar": 6.2838337674808535,
"formula_full": "Na1 Li1 Fe2 Si4 O12",
"formula_reduced": "NaLiFe2(SiO3)4",
"formula_anonymous": "ABC2D4E12",
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"spacegroup": 5
},
{
"id": "jvasp-113175",
"created_at": "2022-09-04T14:38:44.935059Z",
"updated_at": "2022-09-04T14:38:44.935074Z",
"structure_string": "Li1 Co1 P2 O7\n1.0\n5.035098 0.030055 0.741480\n-1.238551 4.880482 0.741480\n0.002848 0.003684 4.388164\nLi Co P O\n1 1 2 7\ndirect\n0.690145 0.309854 0.500000 Li\n0.059535 0.940464 0.500000 Co\n0.613225 0.806953 0.091415 P\n0.193046 0.386775 0.908584 P\n0.004746 0.240342 0.224681 O\n0.063177 0.599286 0.757866 O\n0.289168 0.199133 0.691864 O\n0.400713 0.936822 0.242133 O\n0.481219 0.518781 0.000000 O\n0.759658 0.995252 0.775318 O\n0.800866 0.710832 0.308136 O\n",
"nsites": 11,
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"elements": [
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],
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"density": 3.688325575804632,
"density_atomic": 0.10188070277412611,
"volume": 107.9694161944237,
"volume_molar": 5.910972928162209,
"formula_full": "Li1 Co1 P2 O7",
"formula_reduced": "LiCoP2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.7636360363636365,
"spacegroup": 5
},
{
"id": "jvasp-112164",
"created_at": "2022-09-04T14:38:44.946490Z",
"updated_at": "2022-09-04T14:38:44.946512Z",
"structure_string": "Cd1 H2 C3 O4\n1.0\n3.547378 0.002873 1.018576\n1.509407 4.428333 1.417425\n0.032258 -0.013523 6.573440\nCd H C O\n1 2 3 4\ndirect\n0.244754 0.500058 0.535326 Cd\n0.199037 0.205324 0.994156 H\n0.363155 0.794787 0.076481 H\n0.784853 0.966482 0.838048 C\n0.554005 0.033630 0.232602 C\n0.444938 0.000055 0.035322 C\n0.518646 0.296505 0.242455 O\n0.665000 0.796570 0.380039 O\n0.806237 0.203540 0.690624 O\n0.022203 0.703601 0.828196 O\n",
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"elements": [
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],
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"density": 3.4528770258811,
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"volume": 103.13530615488853,
"volume_molar": 6.210953309904331,
"formula_full": "Cd1 H2 C3 O4",
"formula_reduced": "CdH2C3O4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 3.624894375,
"spacegroup": 5
}
]
}