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=spacegroup&page=86",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=84",
"results": [
{
"id": "jvasp-119725",
"created_at": "2022-09-04T14:38:50.465405Z",
"updated_at": "2022-09-04T14:38:50.465431Z",
"structure_string": "Li7 Fe1 O5 F1\n1.0\n4.761097 -0.015977 -2.463770\n-2.759799 4.663778 -0.045167\n0.071315 0.050203 5.659814\nLi Fe O F\n7 1 5 1\ndirect\n0.525223 0.117854 0.177102 Li\n0.896726 0.768268 0.387252 Li\n0.737243 0.486312 0.686735 Li\n0.195802 0.470001 0.319421 Li\n0.129697 0.222806 0.658560 Li\n0.441182 0.931738 0.643073 Li\n0.308271 0.639868 0.970251 Li\n0.943125 0.952849 0.990227 Fe\n0.875709 0.074566 0.252772 O\n0.890199 0.231184 0.817358 O\n0.494785 0.614743 0.752452 O\n0.177795 0.809074 0.246406 O\n0.133554 0.896918 0.789890 O\n0.530382 0.441705 0.293659 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 2.6683123358993717,
"density_atomic": 0.1105875271654498,
"volume": 126.59655531545276,
"volume_molar": 5.445587684577019,
"formula_full": "Li7 Fe1 O5 F1",
"formula_reduced": "Li7FeO5F",
"formula_anonymous": "ABC5D7",
"energy_above_hull": 1.63263094875,
"spacegroup": 1
},
{
"id": "jvasp-119743",
"created_at": "2022-09-04T14:38:50.500678Z",
"updated_at": "2022-09-04T14:38:50.500700Z",
"structure_string": "V6 O6 F12\n1.0\n5.035259 -0.000791 -0.025062\n-2.516673 4.353381 -0.014665\n0.007756 -0.022615 13.162768\nV O F\n6 6 12\ndirect\n0.011601 0.017388 0.500873 V\n0.980407 0.979001 0.998320 V\n0.602566 0.305499 0.165508 V\n0.301911 0.694466 0.334796 V\n0.732424 0.359834 0.667013 V\n0.354223 0.661628 0.835369 V\n0.937471 0.269793 0.582043 O\n0.073511 0.748089 0.417111 O\n0.663537 0.735726 0.917269 O\n0.321905 0.255475 0.084326 O\n0.391379 0.001284 0.250319 O\n0.009699 0.595395 0.749031 O\n0.933451 0.649438 0.085415 F\n-0.003017 0.391763 0.250505 F\n0.339494 0.065069 0.585438 F\n0.051636 0.330273 0.916722 F\n0.286821 0.349734 0.413953 F\n0.620921 -0.005308 0.745791 F\n0.715058 0.049435 0.087495 F\n0.399779 0.378314 0.749209 F\n0.607732 0.611201 0.249792 F\n0.277262 0.942829 0.915923 F\n0.720618 0.665934 0.584105 F\n0.669637 0.947749 0.413673 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.6239235390867894,
"density_atomic": 0.08318755350040637,
"volume": 288.50469800007716,
"volume_molar": 7.239232921990646,
"formula_full": "V6 O6 F12",
"formula_reduced": "VOF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.90742456625,
"spacegroup": 1
},
{
"id": "jvasp-118103",
"created_at": "2022-09-04T14:38:50.528564Z",
"updated_at": "2022-09-04T14:38:50.528591Z",
"structure_string": "Cl2 O1\n1.0\n5.405402 0.154604 -0.241863\n-1.448845 -3.195201 0.734242\n-1.369139 -1.875950 -3.216123\nCl O\n2 1\ndirect\n0.537561 0.759373 0.727669 Cl\n0.096424 0.709666 0.543296 Cl\n0.021560 0.001166 0.148547 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Cl",
"O"
],
"chemical_system": "Cl-O",
"density": 2.3083270855524,
"density_atomic": 0.047986905189278325,
"volume": 62.51705518759496,
"volume_molar": 12.549550208012835,
"formula_full": "Cl2 O1",
"formula_reduced": "Cl2O",
"formula_anonymous": "AB2",
"energy_above_hull": 0.8780238783333334,
"spacegroup": 1
},
{
"id": "jvasp-120439",
"created_at": "2022-09-04T14:38:50.684378Z",
"updated_at": "2022-09-04T14:38:50.684401Z",
"structure_string": "Mn3 As2 O14\n1.0\n5.325164 -0.066825 -0.094027\n-2.217490 4.806934 -0.644301\n0.033881 -0.197193 9.490735\nMn As O\n3 2 14\ndirect\n0.386493 0.215452 0.515160 Mn\n0.996791 0.013940 0.997673 Mn\n0.496981 0.514448 -0.000887 Mn\n0.504393 0.101077 0.203042 As\n0.483825 0.922362 0.790733 As\n0.086431 0.217135 0.593748 O\n0.290261 0.367399 0.394876 O\n0.825781 0.643182 0.922773 O\n0.162029 0.378929 0.074508 O\n0.386919 0.897533 0.617092 O\n0.583722 0.081897 0.374829 O\n0.659159 0.429776 0.156444 O\n0.054384 0.863977 0.450315 O\n0.341461 0.126613 0.903667 O\n0.654638 0.904461 0.093944 O\n0.834969 0.097684 0.839957 O\n0.155616 0.917196 0.149392 O\n0.330061 0.600206 0.845204 O\n0.639968 0.438819 0.621824 O\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Mn",
"As",
"O"
],
"chemical_system": "As-Mn-O",
"density": 3.7139618718806786,
"density_atomic": 0.07889257636272635,
"volume": 240.83381321764963,
"volume_molar": 7.6333427524433395,
"formula_full": "Mn3 As2 O14",
"formula_reduced": "Mn3(AsO7)2",
"formula_anonymous": "A2B3C14",
"energy_above_hull": 3.338467064428312,
"spacegroup": 1
},
{
"id": "jvasp-113634",
"created_at": "2022-09-04T14:38:50.613361Z",
"updated_at": "2022-09-04T14:38:50.613388Z",
"structure_string": "Ge1 H3\n1.0\n4.422491 -0.538467 -0.689214\n-2.597152 -3.702896 0.228291\n-0.444220 -1.101356 -2.720314\nGe H\n1 3\ndirect\n0.201884 0.699435 0.175154 Ge\n0.212291 0.052651 0.848363 H\n0.865231 0.349702 0.232620 H\n0.527646 0.697457 0.009014 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ge",
"H"
],
"chemical_system": "Ge-H",
"density": 2.580936860230021,
"density_atomic": 0.08216748808267349,
"volume": 48.681054920108636,
"volume_molar": 7.329104126854619,
"formula_full": "Ge1 H3",
"formula_reduced": "GeH3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.2032389875,
"spacegroup": 1
},
{
"id": "jvasp-118877",
"created_at": "2022-09-04T14:38:50.629182Z",
"updated_at": "2022-09-04T14:38:50.629199Z",
"structure_string": "As2 I2\n1.0\n5.247580 -3.535601 0.017582\n8.570759 -13.345519 -1.450552\n-0.215985 -3.885332 -4.091372\nAs I\n2 2\ndirect\n0.353182 -0.090499 0.336806 As\n0.062476 0.411145 -0.022327 As\n0.922581 0.392029 0.641017 I\n0.511728 0.890442 -0.154277 I\n",
"nsites": 4,
"nelements": 2,
"elements": [
"As",
"I"
],
"chemical_system": "As-I",
"density": 5.10778688328792,
"density_atomic": 0.030481504786642757,
"volume": 131.2271171649253,
"volume_molar": 19.756704277404808,
"formula_full": "As2 I2",
"formula_reduced": "AsI",
"formula_anonymous": "AB",
"energy_above_hull": 0.6452290125,
"spacegroup": 1
},
{
"id": "jvasp-120134",
"created_at": "2022-09-04T14:38:50.964982Z",
"updated_at": "2022-09-04T14:38:50.964997Z",
"structure_string": "Rb1 Cu3 S2\n1.0\n4.098201 -0.850562 -0.314536\n-2.996894 5.301109 -0.378317\n-0.305846 -0.547760 6.190653\nRb Cu S\n1 3 2\ndirect\n0.779631 -0.017808 -0.184089 Rb\n0.052516 0.405897 0.421012 Cu\n0.135557 0.018134 0.378221 Cu\n-0.116629 0.558548 0.051060 Cu\n0.676466 0.404103 0.647168 S\n0.472461 0.631124 0.186626 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Rb",
"Cu",
"S"
],
"chemical_system": "Cu-Rb-S",
"density": 4.839691533437679,
"density_atomic": 0.05139724331081082,
"volume": 116.73777840022734,
"volume_molar": 11.716855558930945,
"formula_full": "Rb1 Cu3 S2",
"formula_reduced": "RbCu3S2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.2263035583333334,
"spacegroup": 1
},
{
"id": "jvasp-119370",
"created_at": "2022-09-04T14:38:50.849778Z",
"updated_at": "2022-09-04T14:38:50.849795Z",
"structure_string": "Li6 Fe1 O5 F1\n1.0\n4.851018 0.072286 2.462453\n1.641138 4.595434 2.560919\n0.062437 0.023195 5.507949\nLi Fe O F\n6 1 5 1\ndirect\n0.697950 0.468582 0.057573 Li\n0.510341 0.084408 0.747200 Li\n0.915229 0.306630 0.509301 Li\n0.076841 0.707923 0.473258 Li\n0.516932 0.916965 0.268979 Li\n0.261191 0.487367 0.926265 Li\n0.034169 0.987248 0.961490 Fe\n0.356705 0.807757 0.089567 O\n0.920421 0.666598 0.209074 O\n0.208105 0.888689 0.646965 O\n0.102192 0.340355 0.789372 O\n0.657216 0.210940 0.917975 O\n0.777713 0.126905 0.385410 F\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 2.6910624318006096,
"density_atomic": 0.1072224003793413,
"volume": 121.24332186191879,
"volume_molar": 5.616495003557386,
"formula_full": "Li6 Fe1 O5 F1",
"formula_reduced": "Li6FeO5F",
"formula_anonymous": "ABC5D6",
"energy_above_hull": 1.6835448678846154,
"spacegroup": 1
},
{
"id": "jvasp-119553",
"created_at": "2022-09-04T14:38:51.306909Z",
"updated_at": "2022-09-04T14:38:51.306933Z",
"structure_string": "Li2 Mn2 P4 O14\n1.0\n4.790584 -0.131475 -0.290517\n-1.811595 6.407262 -0.310643\n0.034837 -0.003621 8.033863\nLi Mn P O\n2 2 4 14\ndirect\n0.436778 0.522841 0.931233 Li\n0.060875 0.972962 0.441364 Li\n0.508541 0.500922 0.497709 Mn\n0.009818 0.007000 -0.000850 Mn\n0.564798 0.160435 0.763169 P\n0.125446 0.739863 0.695132 P\n0.890853 0.269392 0.300002 P\n0.450120 0.841815 0.230006 P\n0.192662 0.933315 0.201839 O\n0.696248 0.411462 0.316415 O\n0.359710 0.671967 0.352626 O\n0.700852 0.029273 0.338966 O\n0.141664 0.286460 0.434150 O\n0.879218 0.715568 0.557907 O\n0.815656 0.069895 0.803487 O\n0.660505 0.335648 0.645431 O\n0.319459 0.592782 0.687437 O\n0.977862 0.259749 0.119949 O\n0.038148 0.751732 0.874743 O\n0.416251 0.219583 0.912161 O\n0.322717 0.972142 0.648499 O\n0.580733 0.785874 0.073765 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 3.200053129056637,
"density_atomic": 0.08989091034128717,
"volume": 244.74109691928808,
"volume_molar": 6.699387888203432,
"formula_full": "Li2 Mn2 P4 O14",
"formula_reduced": "LiMnP2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.855619340125392,
"spacegroup": 1
},
{
"id": "jvasp-122015",
"created_at": "2022-09-04T14:38:51.341767Z",
"updated_at": "2022-09-04T14:38:51.341787Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n4.796481 -0.007593 1.060866\n1.444521 5.425153 1.146272\n0.011909 0.015362 7.551483\nLi Mn Co O\n7 2 3 12\ndirect\n0.004000 0.500249 0.004803 Li\n-0.002722 0.825759 0.651613 Li\n0.484240 0.339087 0.177760 Li\n0.505379 0.662893 0.825977 Li\n0.999022 0.177339 0.340785 Li\n0.504180 0.998871 0.499004 Li\n0.998738 0.661149 0.340651 Li\n0.999633 0.998480 0.001614 Mn\n0.499852 0.825473 0.175273 Mn\n0.500773 0.165892 0.833137 Co\n0.500294 0.501892 0.497988 Co\n0.000936 0.335816 0.663294 Co\n0.747749 0.996577 0.229928 O\n0.253422 0.692673 0.077589 O\n0.239919 0.019060 0.761210 O\n0.724841 0.516680 0.252297 O\n0.747405 0.849540 0.927109 O\n0.251128 0.339003 0.433004 O\n0.738817 0.189936 0.596123 O\n0.761023 0.312135 0.906381 O\n0.750110 0.644355 0.584763 O\n0.253404 0.148944 0.075343 O\n0.262710 0.474001 0.737735 O\n0.275146 0.824191 0.406618 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.456629554121226,
"density_atomic": 0.12216522018758602,
"volume": 196.4552592231057,
"volume_molar": 4.929505100349295,
"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
"formula_anonymous": "A2B3C7D12",
"energy_above_hull": 2.689487882614942,
"spacegroup": 1
},
{
"id": "jvasp-119378",
"created_at": "2022-09-04T14:38:50.964060Z",
"updated_at": "2022-09-04T14:38:50.964081Z",
"structure_string": "Fe8 O10 F6\n1.0\n4.508950 -0.013239 -0.093556\n-0.172441 7.146719 -1.894603\n0.003091 -0.001592 7.435338\nFe O F\n8 10 6\ndirect\n0.497685 0.405550 0.141479 Fe\n0.508446 0.123026 0.370553 Fe\n0.456847 0.862053 0.633913 Fe\n0.507994 0.619949 0.873356 Fe\n0.993762 0.763737 0.261310 Fe\n0.024875 0.484725 0.480769 Fe\n0.072056 0.241224 0.740135 Fe\n0.954909 0.996068 0.994591 Fe\n0.799118 0.980788 0.228265 O\n0.681693 0.838961 0.843926 O\n0.703169 0.354129 0.340156 O\n0.701787 0.607271 0.103332 O\n0.314717 0.410235 0.908862 O\n0.304553 0.901358 0.411937 O\n0.193516 0.010571 0.778723 O\n0.201919 0.532318 0.278375 O\n0.207107 0.272649 0.508483 O\n0.291357 0.640738 0.647671 O\n0.787561 0.718295 0.487806 F\n0.207863 0.783170 0.029171 F\n0.291906 0.163952 0.136123 F\n0.697503 0.089740 0.617615 F\n0.789452 0.241172 0.975969 F\n0.810206 0.458322 0.707472 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.995731930175647,
"density_atomic": 0.10017975889939201,
"volume": 239.56935276818334,
"volume_molar": 6.011334850633732,
"formula_full": "Fe8 O10 F6",
"formula_reduced": "Fe4O5F3",
"formula_anonymous": "A3B4C5",
"energy_above_hull": 2.437333362291666,
"spacegroup": 1
},
{
"id": "jvasp-119535",
"created_at": "2022-09-04T14:38:51.186834Z",
"updated_at": "2022-09-04T14:38:51.186860Z",
"structure_string": "V6 H6 O18\n1.0\n5.137979 0.066769 0.084533\n1.211924 7.754378 -0.660559\n-0.163171 -0.777917 8.371552\nV H O\n6 6 18\ndirect\n0.484866 0.816149 0.441290 V\n0.583309 0.182277 0.998092 V\n0.588024 0.187157 0.607245 V\n0.485591 0.804700 0.045349 V\n0.967081 0.930561 0.259770 V\n0.110108 0.068436 0.785461 V\n0.889845 0.606100 0.624897 H\n-0.021709 0.416539 0.682628 H\n0.832913 0.568690 0.221066 H\n0.202013 0.497271 0.600850 H\n-0.056530 0.363141 0.115853 H\n0.154283 0.462768 0.219352 H\n0.446575 0.258681 0.815945 O\n0.613441 0.648298 0.904020 O\n0.450352 0.341260 0.514110 O\n0.458392 0.337176 0.144744 O\n0.623116 0.669696 0.543363 O\n0.930322 0.916938 0.755281 O\n0.135148 0.088382 0.285528 O\n0.636512 0.730319 0.233153 O\n0.350690 0.012189 0.610695 O\n0.907589 0.233366 0.666277 O\n0.908187 0.222957 0.966413 O\n0.167272 0.775057 0.389502 O\n0.715680 0.986468 0.107821 O\n-0.036108 0.451410 0.218911 O\n0.356137 0.000821 0.933876 O\n0.714657 0.994094 0.435056 O\n0.165722 0.770108 0.090983 O\n0.041074 0.533321 0.674471 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"V",
"H",
"O"
],
"chemical_system": "H-O-V",
"density": 3.0152529394039473,
"density_atomic": 0.09083895144682473,
"volume": 330.2548028371,
"volume_molar": 6.629469697836878,
"formula_full": "V6 H6 O18",
"formula_reduced": "VHO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.62238894,
"spacegroup": 1
}
]
}