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=nsites&page=4103",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=4101",
"results": [
{
"id": "jvasp-50933",
"created_at": "2022-09-04T14:37:30.151404Z",
"updated_at": "2022-09-04T14:37:30.151429Z",
"structure_string": "Li4 H8 Br4 O4\n1.0\n4.033544 3.958209 0.000000\n-4.033544 3.958209 0.000000\n0.000000 0.000000 7.846255\nLi H Br O\n4 8 4 4\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.307098 0.307098 0.250000 Li\n0.692902 0.692902 0.750000 Li\n0.789093 0.596213 0.436523 H\n0.403787 0.210907 0.936523 H\n0.403787 0.210907 0.563476 H\n0.789093 0.596213 0.063476 H\n0.596213 0.789093 0.436523 H\n0.596213 0.789093 0.063476 H\n0.210907 0.403787 0.936523 H\n0.210907 0.403787 0.563476 H\n0.270337 0.782539 0.250000 Br\n0.217462 0.729663 0.750000 Br\n0.782539 0.270337 0.250000 Br\n0.729663 0.217462 0.750000 Br\n0.742080 0.742080 0.497555 O\n0.257921 0.257921 -0.002444 O\n0.257921 0.257921 0.502444 O\n0.742080 0.742080 0.002444 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"H",
"Br",
"O"
],
"chemical_system": "Br-H-Li-O",
"density": 2.779983171843715,
"density_atomic": 0.0798274140459076,
"volume": 250.54049713420864,
"volume_molar": 7.543950699112904,
"formula_full": "Li4 H8 Br4 O4",
"formula_reduced": "LiH2BrO",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.479551521,
"spacegroup": 63
},
{
"id": "jvasp-45327",
"created_at": "2022-09-04T14:37:06.560003Z",
"updated_at": "2022-09-04T14:37:06.560037Z",
"structure_string": "Li4 Sn2 Te2 O12\n1.0\n4.924735 0.000000 0.000000\n0.000000 5.256435 0.000000\n0.000000 0.000000 8.656650\nLi Sn Te O\n4 2 2 12\ndirect\n0.000000 0.000000 0.307454 Li\n0.500000 0.500000 0.807454 Li\n0.500000 0.000000 0.187698 Li\n0.000000 0.500000 0.687698 Li\n0.500000 0.000000 0.595692 Sn\n0.000000 0.500000 0.095692 Sn\n0.000000 0.000000 0.904511 Te\n0.500000 0.500000 0.404511 Te\n0.211427 0.687950 0.911921 O\n0.288573 0.187951 0.411921 O\n0.265863 0.665389 0.251991 O\n0.788572 0.312049 0.911921 O\n0.234136 0.165390 0.751991 O\n0.709815 0.338533 0.573361 O\n0.734136 0.334610 0.251991 O\n0.290184 0.661466 0.573361 O\n0.711426 0.812048 0.411921 O\n0.790184 0.838532 0.073361 O\n0.765863 0.834609 0.751991 O\n0.209816 0.161467 0.073361 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Sn",
"Te",
"O"
],
"chemical_system": "Li-O-Sn-Te",
"density": 5.278795545895777,
"density_atomic": 0.08924953713156081,
"volume": 224.09079803426243,
"volume_molar": 6.747531643915299,
"formula_full": "Li4 Sn2 Te2 O12",
"formula_reduced": "Li2SnTeO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.886076046666667,
"spacegroup": 34
},
{
"id": "jvasp-21355",
"created_at": "2022-09-04T14:37:16.148310Z",
"updated_at": "2022-09-04T14:37:16.148331Z",
"structure_string": "Zn2 Cr2 Si4 O12\n1.0\n5.175558 0.165729 1.245156\n1.517016 6.669912 0.445026\n0.196918 -0.215300 6.848503\nZn Cr Si O\n2 2 4 12\ndirect\n0.750001 0.240430 0.759570 Zn\n0.250002 0.759570 0.240432 Zn\n0.249999 0.100834 0.899166 Cr\n0.750000 0.899168 0.100834 Cr\n0.233205 0.218062 0.387400 Si\n0.266795 0.612600 0.781938 Si\n0.733205 0.387400 0.218063 Si\n0.766796 0.781938 0.612600 Si\n0.646537 0.966228 0.787302 O\n0.853465 0.212698 0.033772 O\n0.622967 0.615338 0.145036 O\n0.877034 0.854966 0.384663 O\n0.377034 0.384661 0.854965 O\n0.020840 0.619033 0.675167 O\n0.979161 0.380967 0.324834 O\n0.520841 0.675167 0.619035 O\n0.353464 0.033772 0.212699 O\n0.479162 0.324834 0.380966 O\n0.122967 0.145034 0.615338 O\n0.146537 0.787302 0.966228 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Zn",
"Cr",
"Si",
"O"
],
"chemical_system": "Cr-O-Si-Zn",
"density": 3.839723528055495,
"density_atomic": 0.0857778726443719,
"volume": 233.16036389615746,
"volume_molar": 7.020622655177411,
"formula_full": "Zn2 Cr2 Si4 O12",
"formula_reduced": "ZnCr(SiO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.6364566000000003,
"spacegroup": 15
},
{
"id": "jvasp-50096",
"created_at": "2022-09-04T14:37:17.819009Z",
"updated_at": "2022-09-04T14:37:17.819023Z",
"structure_string": "Li5 Nb2 Cu3 O10\n1.0\n5.237498 -0.000544 -0.004180\n-1.595854 5.516010 0.020624\n-2.073566 -2.076833 7.097159\nLi Nb Cu O\n5 2 3 10\ndirect\n0.228177 0.860143 0.370077 Li\n0.406575 0.339948 0.808343 Li\n0.500000 0.500001 0.500000 Li\n0.593425 0.660053 0.191656 Li\n0.771824 0.139858 0.629922 Li\n0.109015 0.728611 0.699901 Nb\n0.890986 0.271390 0.300099 Nb\n0.701240 0.876982 0.901163 Cu\n0.298761 0.123020 0.098837 Cu\n0.000000 0.500000 -0.000000 Cu\n0.664438 0.350103 0.067079 O\n0.072843 0.038524 0.824064 O\n0.335563 0.649898 0.932921 O\n0.139999 0.344954 0.555682 O\n0.221518 0.520639 0.249692 O\n0.456600 0.871838 0.648866 O\n0.543401 0.128164 0.351134 O\n0.778483 0.479362 0.750307 O\n0.860001 0.655047 0.444318 O\n0.927157 0.961477 0.175935 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Nb",
"Cu",
"O"
],
"chemical_system": "Cu-Li-Nb-O",
"density": 4.62204548847704,
"density_atomic": 0.09746868681289735,
"volume": 205.1941054504239,
"volume_molar": 6.17853893072368,
"formula_full": "Li5 Nb2 Cu3 O10",
"formula_reduced": "Li5Nb2Cu3O10",
"formula_anonymous": "A2B3C5D10",
"energy_above_hull": 2.2584322575,
"spacegroup": 2
},
{
"id": "jvasp-41612",
"created_at": "2022-09-04T14:37:30.145253Z",
"updated_at": "2022-09-04T14:37:30.145278Z",
"structure_string": "V4 Cl16\n1.0\n0.000000 7.532492 0.225430\n6.262488 0.000000 0.000000\n0.000000 -3.625655 -12.140927\nV Cl\n4 16\ndirect\n0.465340 0.824345 0.185288 V\n0.534660 0.824345 0.814713 V\n0.034646 0.175653 0.314719 V\n0.965353 0.175653 0.685281 V\n0.798517 0.663478 0.877492 Cl\n0.201482 0.663478 0.122508 Cl\n0.052822 0.174495 0.863744 Cl\n0.947178 0.174495 0.136256 Cl\n0.447195 0.825506 0.636256 Cl\n0.552805 0.825506 0.363744 Cl\n0.934648 0.852780 0.626236 Cl\n0.565366 0.147215 0.873763 Cl\n0.298509 0.336524 0.377490 Cl\n0.434633 0.147215 0.126237 Cl\n0.822386 0.329292 0.367556 Cl\n0.177613 0.329292 0.632444 Cl\n0.322408 0.670710 0.867557 Cl\n0.677591 0.670710 0.132443 Cl\n0.065351 0.852780 0.373764 Cl\n0.701490 0.336524 0.622510 Cl\n",
"nsites": 20,
"nelements": 2,
"elements": [
"V",
"Cl"
],
"chemical_system": "Cl-V",
"density": 2.2556556912683363,
"density_atomic": 0.03523639281156327,
"volume": 567.5949892758814,
"volume_molar": 17.090684600450242,
"formula_full": "V4 Cl16",
"formula_reduced": "VCl4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.7828120940000002,
"spacegroup": 13
},
{
"id": "jvasp-21313",
"created_at": "2022-09-04T14:37:06.008445Z",
"updated_at": "2022-09-04T14:37:06.008471Z",
"structure_string": "Zn2 Si4 Sn2 O12\n1.0\n5.336013 0.162113 1.274346\n1.500823 7.085619 0.766569\n0.157827 0.080981 7.281115\nZn Si Sn O\n2 4 2 12\ndirect\n0.750000 0.299147 0.700854 Zn\n0.250001 0.700853 0.299149 Zn\n0.219849 0.171027 0.360228 Si\n0.280150 0.639772 0.828974 Si\n0.719848 0.360227 0.171028 Si\n0.780151 0.828973 0.639773 Si\n0.249999 0.154927 0.845075 Sn\n0.749998 0.845075 0.154927 Sn\n0.667791 0.056900 0.656961 O\n0.832209 0.343038 0.943101 O\n0.617840 0.580286 0.237391 O\n0.882158 0.762611 0.419715 O\n0.382158 0.419713 0.762611 O\n0.037318 0.751017 0.731125 O\n0.962680 0.248983 0.268877 O\n0.537319 0.731124 0.751019 O\n0.332207 0.943100 0.343040 O\n0.462682 0.268877 0.248983 O\n0.117842 0.237389 0.580286 O\n0.167792 0.656961 0.056901 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Zn",
"Si",
"Sn",
"O"
],
"chemical_system": "O-Si-Sn-Zn",
"density": 4.106941650047569,
"density_atomic": 0.07354618182073425,
"volume": 271.9379783541879,
"volume_molar": 8.188243918193765,
"formula_full": "Zn2 Si4 Sn2 O12",
"formula_reduced": "ZnSi2SnO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.1150660300000004,
"spacegroup": 15
},
{
"id": "jvasp-21731",
"created_at": "2022-09-04T14:37:30.108330Z",
"updated_at": "2022-09-04T14:37:30.108345Z",
"structure_string": "Na2 Nd4 Ru2 O12\n1.0\n0.000000 5.516573 -0.000391\n5.960547 0.000000 0.000000\n0.000000 -5.379559 -7.939391\nNa Nd Ru O\n2 4 2 12\ndirect\n0.000000 0.000000 0.000000 Na\n-0.000000 0.500000 0.500000 Na\n0.773853 0.425906 0.752736 Nd\n0.226146 0.925906 0.747264 Nd\n0.226146 0.574095 0.247264 Nd\n0.773853 0.074094 0.252736 Nd\n0.500000 0.500000 -0.000000 Ru\n0.500000 0.000000 0.500000 Ru\n0.155432 0.826710 0.448722 O\n0.844567 0.326710 0.051277 O\n0.614603 0.453065 0.232203 O\n0.385396 0.953065 0.267797 O\n0.385396 0.546936 0.767797 O\n0.269315 0.218033 0.933716 O\n0.730684 0.781968 0.066284 O\n0.269315 0.281967 0.433716 O\n0.155432 0.673291 0.948722 O\n0.730684 0.718033 0.566284 O\n0.614603 0.046935 0.732203 O\n0.844567 0.173291 0.551277 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Na",
"Nd",
"Ru",
"O"
],
"chemical_system": "Na-Nd-O-Ru",
"density": 6.469054693450219,
"density_atomic": 0.07660664843195289,
"volume": 261.0739460526762,
"volume_molar": 7.861120259489313,
"formula_full": "Na2 Nd4 Ru2 O12",
"formula_reduced": "NaNd2RuO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.3237613500000007,
"spacegroup": 14
},
{
"id": "jvasp-32959",
"created_at": "2022-09-04T14:37:08.412345Z",
"updated_at": "2022-09-04T14:37:08.412369Z",
"structure_string": "S4 I8 N8\n1.0\n6.503482 -0.109371 0.051249\n2.963780 7.004213 2.135767\n-0.034549 0.149501 11.533528\nS I N\n4 8 8\ndirect\n0.759127 0.487393 0.375903 S\n0.240873 0.512606 0.624098 S\n0.756275 0.246232 0.115235 S\n0.243725 0.753767 0.884766 S\n0.724053 0.698595 0.688220 I\n0.275947 0.301405 0.311780 I\n0.633366 0.177141 0.794166 I\n0.149657 0.070633 0.620754 I\n0.876947 0.730926 0.054047 I\n0.366633 0.822859 0.205834 I\n0.123053 0.269074 0.945953 I\n0.850342 0.929366 0.379246 I\n0.006224 0.136814 0.106927 N\n-0.006224 0.863186 0.893074 N\n0.306312 0.388618 0.760320 N\n0.693687 0.611382 0.239680 N\n0.335430 0.834260 0.766431 N\n0.003201 0.350180 0.413378 N\n-0.003200 0.649819 0.586623 N\n0.664570 0.165740 0.233570 N\n",
"nsites": 20,
"nelements": 3,
"elements": [
"S",
"I",
"N"
],
"chemical_system": "I-N-S",
"density": 3.955561067550264,
"density_atomic": 0.037945056245013854,
"volume": 527.0778852153655,
"volume_molar": 15.870686081250271,
"formula_full": "S4 I8 N8",
"formula_reduced": "S(IN)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.59175381,
"spacegroup": 2
},
{
"id": "jvasp-21223",
"created_at": "2022-09-04T14:37:06.468109Z",
"updated_at": "2022-09-04T14:37:06.468127Z",
"structure_string": "Li8 Se2 O10\n1.0\n5.207365 0.008974 0.645075\n2.038969 4.791589 0.645075\n0.021893 0.014503 7.848700\nLi Se O\n8 2 10\ndirect\n0.363811 0.032883 0.353544 Li\n0.967116 0.636188 0.146455 Li\n0.566093 0.223656 0.943504 Li\n0.776343 0.433905 0.556495 Li\n0.433906 0.776343 0.056495 Li\n0.223656 0.566093 0.443504 Li\n0.636189 0.967116 0.646455 Li\n0.032883 0.363810 0.853544 Li\n0.828673 0.171326 0.249999 Se\n0.171326 0.828673 0.749999 Se\n0.866373 0.133625 0.750000 O\n0.133626 0.866374 0.249999 O\n0.414200 0.767159 0.571514 O\n0.232840 0.585799 0.928485 O\n0.585799 0.232839 0.428485 O\n0.767159 0.414200 0.071514 O\n0.348991 0.006881 0.841109 O\n0.993117 0.651008 0.658890 O\n0.006882 0.348991 0.341109 O\n0.651009 0.993117 0.158890 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Se",
"O"
],
"chemical_system": "Li-O-Se",
"density": 3.1703797058788346,
"density_atomic": 0.10225134215245041,
"volume": 195.59645456957662,
"volume_molar": 5.889546907874677,
"formula_full": "Li8 Se2 O10",
"formula_reduced": "Li4SeO5",
"formula_anonymous": "AB4C5",
"energy_above_hull": 1.7684070866666666,
"spacegroup": 15
},
{
"id": "jvasp-50926",
"created_at": "2022-09-04T14:37:29.378849Z",
"updated_at": "2022-09-04T14:37:29.378866Z",
"structure_string": "Ca4 Se4 O12\n1.0\n5.419031 0.000000 0.000000\n0.000000 6.404750 0.000000\n0.000000 0.000000 8.370276\nCa Se O\n4 4 12\ndirect\n0.000000 0.500000 0.000000 Ca\n0.000000 0.500000 0.500000 Ca\n0.500000 0.000000 0.000000 Ca\n0.500000 0.000000 0.500000 Ca\n0.015560 0.024063 0.750000 Se\n0.484440 0.524063 0.750000 Se\n0.515559 0.475937 0.250000 Se\n0.984440 0.975937 0.250000 Se\n0.869591 0.828759 0.091399 O\n0.630409 0.328759 0.408601 O\n0.630409 0.328759 0.091399 O\n0.702640 0.081574 0.750000 O\n0.297360 0.918426 0.250000 O\n0.130409 0.171241 0.591400 O\n0.369591 0.671241 0.591400 O\n0.130409 0.171241 0.908601 O\n0.869591 0.828759 0.408601 O\n0.202640 0.418426 0.250000 O\n0.369591 0.671241 0.908601 O\n0.797359 0.581574 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ca",
"Se",
"O"
],
"chemical_system": "Ca-O-Se",
"density": 3.819056591158108,
"density_atomic": 0.06884404808750386,
"volume": 290.5116790136906,
"volume_molar": 8.747511117221913,
"formula_full": "Ca4 Se4 O12",
"formula_reduced": "CaSeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.3373548573333331,
"spacegroup": 62
},
{
"id": "jvasp-43511",
"created_at": "2022-09-04T14:37:17.428230Z",
"updated_at": "2022-09-04T14:37:17.428254Z",
"structure_string": "Mg4 Co4 O12\n1.0\n4.646299 4.245109 0.945757\n-4.646299 4.245109 -0.945757\n-0.623837 0.000000 4.900827\nMg Co O\n4 4 12\ndirect\n0.178624 0.606254 0.775133 Mg\n0.393748 0.821376 0.275133 Mg\n0.606254 0.178625 0.724867 Mg\n0.821376 0.393748 0.224867 Mg\n0.084222 0.084222 0.750000 Co\n0.736575 0.736576 0.750000 Co\n0.263425 0.263425 0.250000 Co\n0.915778 0.915778 0.250000 Co\n0.884787 0.663635 0.043953 O\n0.724700 0.471136 0.605271 O\n0.336365 0.115214 0.543953 O\n0.528865 0.275301 0.105270 O\n0.471135 0.724700 0.894730 O\n0.185100 0.980236 0.070695 O\n0.275300 0.528865 0.394730 O\n0.115213 0.336365 0.956048 O\n0.814900 0.019765 0.929306 O\n0.019765 0.814901 0.570695 O\n0.663635 0.884787 0.456048 O\n0.980236 0.185100 0.429306 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Mg",
"Co",
"O"
],
"chemical_system": "Co-Mg-O",
"density": 4.394996961952445,
"density_atomic": 0.10083822537870124,
"volume": 198.33748486637234,
"volume_molar": 5.97208125924832,
"formula_full": "Mg4 Co4 O12",
"formula_reduced": "MgCoO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.7083220899999998,
"spacegroup": 15
},
{
"id": "jvasp-50201",
"created_at": "2022-09-04T14:37:08.114256Z",
"updated_at": "2022-09-04T14:37:08.114286Z",
"structure_string": "Lu4 Al4 O12\n1.0\n5.097520 0.000000 0.000000\n0.000000 5.352665 0.000000\n0.000000 0.000000 7.324713\nLu Al O\n4 4 12\ndirect\n0.016896 0.934747 0.750000 Lu\n0.483104 0.434746 0.750000 Lu\n0.516896 0.565255 0.250000 Lu\n0.983104 0.065254 0.250000 Lu\n0.000000 0.500000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.803080 0.800881 0.052519 O\n0.696920 0.300881 0.447481 O\n0.696920 0.300881 0.052519 O\n0.601649 0.032007 0.750000 O\n0.398351 0.967994 0.250000 O\n0.196920 0.199120 0.552518 O\n0.303080 0.699120 0.947481 O\n0.196920 0.199120 0.947481 O\n0.803080 0.800881 0.447481 O\n0.101649 0.467994 0.250000 O\n0.303080 0.699120 0.552518 O\n0.898351 0.532007 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Lu",
"Al",
"O"
],
"chemical_system": "Al-Lu-O",
"density": 8.306861095442404,
"density_atomic": 0.10007149340697487,
"volume": 199.85711533916233,
"volume_molar": 6.017838402299954,
"formula_full": "Lu4 Al4 O12",
"formula_reduced": "LuAlO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.4503278099999997,
"spacegroup": 62
}
]
}