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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=312",
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"results": [
{
"id": "jvasp-122113",
"created_at": "2022-09-04T14:38:55.461283Z",
"updated_at": "2022-09-04T14:38:55.461303Z",
"structure_string": "Na2 Ce2 C4 O12\n1.0\n5.174171 -0.000000 0.000000\n0.000000 6.413190 0.000000\n-0.000000 -0.000000 7.094157\nNa Ce C O\n2 2 4 12\ndirect\n-0.000000 0.481164 0.030251 Na\n-0.000000 0.518836 0.530251 Na\n0.500000 0.134329 0.325685 Ce\n0.500000 0.865670 0.825685 Ce\n0.500000 0.586956 0.245192 C\n0.500000 0.413044 0.745192 C\n-0.000000 0.034071 0.996523 C\n-0.000000 0.965929 0.496523 C\n0.780254 0.124031 0.032010 O\n0.219746 0.875969 0.532010 O\n0.780254 0.875969 0.532010 O\n0.219746 0.124031 0.032010 O\n0.713206 0.490870 0.282570 O\n-0.000000 0.854299 0.913563 O\n0.713206 0.509130 0.782570 O\n0.286794 0.490870 0.282570 O\n0.500000 0.229503 0.665628 O\n-0.000000 0.145701 0.413563 O\n0.286794 0.509130 0.782570 O\n0.500000 0.770497 0.165628 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Na",
"Ce",
"C",
"O"
],
"chemical_system": "C-Ce-Na-O",
"density": 3.9942885746403656,
"density_atomic": 0.0849599632486544,
"volume": 235.4049982515354,
"volume_molar": 7.0882101753915,
"formula_full": "Na2 Ce2 C4 O12",
"formula_reduced": "NaCe(CO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": null,
"spacegroup": 26
},
{
"id": "jvasp-57098",
"created_at": "2022-09-04T14:37:04.111133Z",
"updated_at": "2022-09-04T14:37:04.111163Z",
"structure_string": "Na2 Cd1 Sn1 S4\n1.0\n5.630585 0.019669 -3.215232\n-1.857507 5.312405 -3.220397\n0.177698 0.257963 6.850640\nNa Cd Sn S\n2 1 1 4\ndirect\n0.514043 0.014043 0.028085 Na\n0.764116 0.764116 0.528232 Na\n0.014180 0.514181 0.028360 Cd\n0.264127 0.264127 0.528254 Sn\n0.925018 0.375761 0.279952 S\n0.624114 0.603192 0.776533 S\n0.152420 0.173340 0.776533 S\n0.354934 0.904192 0.279952 S\n",
"nsites": 8,
"nelements": 4,
"elements": [
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"Sn",
"S"
],
"chemical_system": "Cd-Na-S-Sn",
"density": 3.139415009871474,
"density_atomic": 0.03731196759743385,
"volume": 214.40841947317207,
"volume_molar": 16.13997102745709,
"formula_full": "Na2 Cd1 Sn1 S4",
"formula_reduced": "Na2CdSnS4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.57481368125,
"spacegroup": 82
},
{
"id": "jvasp-21130",
"created_at": "2022-09-04T14:37:30.727359Z",
"updated_at": "2022-09-04T14:37:30.727383Z",
"structure_string": "Na4 Cd6 Si6 O20\n1.0\n5.157379 -0.000000 0.000000\n-2.578689 8.312827 -0.566225\n0.000000 0.054606 11.066865\nNa Cd Si O\n4 6 6 20\ndirect\n0.285070 0.092202 0.467575 Na\n0.192869 0.907799 0.032426 Na\n0.714930 0.907799 0.532426 Na\n0.807131 0.092202 0.967575 Na\n0.000000 0.500000 0.000000 Cd\n0.500000 0.500000 0.500000 Cd\n0.056206 0.684842 0.293804 Cd\n0.371363 0.315159 0.206196 Cd\n0.943795 0.315159 0.706197 Cd\n0.628637 0.684842 0.793804 Cd\n0.814732 0.000000 0.250000 Si\n0.459168 0.300908 0.899441 Si\n0.540833 0.699093 0.100560 Si\n0.841739 0.300908 0.399441 Si\n0.185268 0.000000 0.750000 Si\n0.158261 0.699093 0.600560 Si\n0.589834 0.294375 0.033793 O\n0.295460 0.705626 0.466207 O\n0.163413 0.312768 0.397228 O\n0.970291 0.907684 0.848778 O\n0.850646 0.687232 0.102772 O\n0.836587 0.687233 0.602772 O\n0.149355 0.312768 0.897229 O\n0.755078 0.440962 0.328831 O\n0.314117 0.559039 0.171170 O\n0.244922 0.559039 0.671170 O\n0.410166 0.705626 0.966207 O\n0.685884 0.440962 0.828831 O\n0.545839 0.875848 0.172764 O\n0.330011 0.875849 0.672764 O\n0.454161 0.124152 0.827237 O\n0.937392 0.907684 0.348778 O\n0.029709 0.092317 0.151223 O\n0.062609 0.092317 0.651223 O\n0.669990 0.124152 0.327237 O\n0.704541 0.294375 0.533794 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Na",
"Cd",
"Si",
"O"
],
"chemical_system": "Cd-Na-O-Si",
"density": 4.390549740054592,
"density_atomic": 0.07584975126626269,
"volume": 474.62251884815987,
"volume_molar": 7.939565601026033,
"formula_full": "Na4 Cd6 Si6 O20",
"formula_reduced": "Na2Cd3Si3O10",
"formula_anonymous": "A2B3C3D10",
"energy_above_hull": 1.718083225,
"spacegroup": 15
},
{
"id": "jvasp-112556",
"created_at": "2022-09-04T14:38:40.701478Z",
"updated_at": "2022-09-04T14:38:40.701496Z",
"structure_string": "Na2 Cd4 Si6 O18\n1.0\n6.842048 0.010690 -1.502120\n-0.186487 6.960511 -0.621067\n-0.014842 -0.007443 7.874888\nNa Cd Si O\n2 4 6 18\ndirect\n0.262450 0.350278 0.565957 Na\n0.737550 0.649722 0.434043 Na\n0.589120 0.149714 0.858295 Cd\n0.410880 0.850286 0.141704 Cd\n0.086405 0.137747 0.851068 Cd\n0.913595 0.862253 0.148932 Cd\n0.735871 0.147416 0.456576 Si\n0.264129 0.852584 0.543424 Si\n0.952500 0.348203 0.217170 Si\n0.405054 0.341755 0.220168 Si\n0.594946 0.658245 0.779832 Si\n0.047500 0.651797 0.782830 Si\n0.210565 0.878124 0.336232 O\n0.848442 0.550906 0.175839 O\n0.151558 0.449095 0.824161 O\n0.497487 0.547532 0.191172 O\n0.502513 0.452468 0.808828 O\n0.708745 0.945899 0.332619 O\n0.291255 0.054101 0.667381 O\n0.789435 0.121876 0.663768 O\n0.107953 0.823990 0.939717 O\n0.091358 0.716299 0.595983 O\n0.533298 0.274212 0.408374 O\n0.466702 0.725788 0.591626 O\n0.892047 0.176010 0.060283 O\n0.809234 0.612481 0.732976 O\n0.389586 0.168414 0.065498 O\n0.610414 0.831586 0.934502 O\n0.908642 0.283701 0.404017 O\n0.190766 0.387519 0.267024 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Na",
"Cd",
"Si",
"O"
],
"chemical_system": "Cd-Na-O-Si",
"density": 4.217666830794068,
"density_atomic": 0.080029503396316,
"volume": 374.861753813919,
"volume_molar": 7.524900823359623,
"formula_full": "Na2 Cd4 Si6 O18",
"formula_reduced": "NaCd2(SiO3)3",
"formula_anonymous": "AB2C3D9",
"energy_above_hull": 2.050833053333333,
"spacegroup": 2
},
{
"id": "jvasp-24984",
"created_at": "2022-09-04T14:38:18.996548Z",
"updated_at": "2022-09-04T14:38:18.996577Z",
"structure_string": "Na4 Cd2 S4 O16\n1.0\n6.167947 -0.001437 2.076695\n0.649808 6.133621 2.076695\n-0.023994 -0.021581 8.649573\nNa Cd S O\n4 2 4 16\ndirect\n0.307457 0.419377 0.436326 Na\n0.692545 0.580622 0.563674 Na\n0.580623 0.692544 0.063675 Na\n0.419378 0.307456 0.936326 Na\n0.933731 0.066269 0.250000 Cd\n0.066270 0.933731 0.750000 Cd\n0.977054 0.403805 0.811015 S\n0.596195 0.022947 0.688986 S\n0.403806 0.977053 0.311015 S\n0.022947 0.596195 0.188986 S\n0.049780 0.228477 0.946739 O\n0.995915 0.687139 0.334403 O\n0.122764 0.580016 0.748566 O\n0.312861 0.004086 0.165598 O\n0.877238 0.419983 0.251435 O\n0.004087 0.312860 0.665597 O\n0.512389 0.254607 0.632965 O\n0.687141 0.995913 0.834403 O\n0.254607 0.512388 0.132965 O\n0.950221 0.771523 0.053261 O\n0.419985 0.877237 0.751435 O\n0.745394 0.487612 0.867036 O\n0.771524 0.950220 0.553261 O\n0.580017 0.122763 0.248566 O\n0.487613 0.745393 0.367036 O\n0.228477 0.049780 0.446740 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
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"S",
"O"
],
"chemical_system": "Cd-Na-O-S",
"density": 3.5513244636758468,
"density_atomic": 0.07931897343588902,
"volume": 327.79042483467043,
"volume_molar": 7.592307992825327,
"formula_full": "Na4 Cd2 S4 O16",
"formula_reduced": "Na2Cd(SO4)2",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 1.7366542884615384,
"spacegroup": 15
},
{
"id": "jvasp-117012",
"created_at": "2022-09-04T14:38:46.042838Z",
"updated_at": "2022-09-04T14:38:46.042850Z",
"structure_string": "Na2 Cd2 Rh8 O16\n1.0\n3.087859 -0.000000 0.000000\n0.000000 9.101029 0.065857\n-0.000000 -0.013475 10.890796\nNa Cd Rh O\n2 2 8 16\ndirect\n0.250000 0.734946 0.842160 Na\n0.750000 0.265055 0.157841 Na\n0.250000 0.236507 0.660922 Cd\n0.750000 0.763494 0.339079 Cd\n0.750000 0.410426 0.901557 Rh\n0.750000 0.908213 0.601326 Rh\n0.250000 0.091788 0.398674 Rh\n0.250000 0.589575 0.098444 Rh\n0.750000 0.949297 0.115704 Rh\n0.250000 0.557336 0.617809 Rh\n0.250000 0.050703 0.884297 Rh\n0.750000 0.442665 0.382191 Rh\n0.250000 0.385501 0.024529 O\n0.250000 0.804465 0.163297 O\n0.250000 0.305652 0.336205 O\n0.750000 0.116797 0.526987 O\n0.750000 0.614499 0.975472 O\n0.250000 0.883204 0.473014 O\n0.750000 0.548484 0.214340 O\n0.250000 0.586216 0.430520 O\n0.250000 0.451517 0.785660 O\n0.250000 0.968522 0.708928 O\n0.750000 0.413785 0.569481 O\n0.750000 0.914720 0.931456 O\n0.750000 0.694348 0.663796 O\n0.250000 0.085281 0.068545 O\n0.750000 0.031478 0.291073 O\n0.750000 0.195536 0.836703 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Na",
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"Rh",
"O"
],
"chemical_system": "Cd-Na-O-Rh",
"density": 7.324583873322987,
"density_atomic": 0.0914842981413032,
"volume": 306.06345098425805,
"volume_molar": 6.582704226137724,
"formula_full": "Na2 Cd2 Rh8 O16",
"formula_reduced": "NaCd(RhO2)4",
"formula_anonymous": "ABC4D8",
"energy_above_hull": 2.416032053571428,
"spacegroup": 11
},
{
"id": "jvasp-26743",
"created_at": "2022-09-04T14:38:17.542905Z",
"updated_at": "2022-09-04T14:38:17.542926Z",
"structure_string": "Na2 Cd3 P4 O14\n1.0\n5.705605 0.013982 -0.018629\n2.649832 6.552346 0.005999\n1.010808 1.501231 7.711327\nNa Cd P O\n2 3 4 14\ndirect\n0.582722 0.008713 0.682921 Na\n0.417277 0.991287 0.317080 Na\n0.188820 0.536126 0.308573 Cd\n0.000000 0.000000 0.000000 Cd\n0.811180 0.463874 0.691428 Cd\n0.194985 0.737969 0.665286 P\n0.653560 0.671618 0.076238 P\n0.346439 0.328382 0.923762 P\n0.805014 0.262031 0.334715 P\n0.373274 0.760545 0.142346 O\n0.187288 0.238141 0.843671 O\n0.812711 0.761859 0.156329 O\n0.626725 0.239455 0.857654 O\n0.448238 0.738568 0.574088 O\n0.313602 0.301717 0.118414 O\n0.686397 0.698283 0.881587 O\n0.946127 0.342312 0.439315 O\n0.968769 0.058854 0.278716 O\n0.031230 0.941146 0.721285 O\n0.551761 0.261432 0.425913 O\n0.252872 0.574486 0.850557 O\n0.053872 0.657688 0.560685 O\n0.747127 0.425514 0.149443 O\n",
"nsites": 23,
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"elements": [
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],
"chemical_system": "Cd-Na-O-P",
"density": 4.215328437931574,
"density_atomic": 0.07986083675111784,
"volume": 288.000989417107,
"volume_molar": 7.540793466474299,
"formula_full": "Na2 Cd3 P4 O14",
"formula_reduced": "Na2Cd3(P2O7)2",
"formula_anonymous": "A2B3C4D14",
"energy_above_hull": 2.0409847065217392,
"spacegroup": 2
},
{
"id": "jvasp-96599",
"created_at": "2022-09-04T14:36:06.333444Z",
"updated_at": "2022-09-04T14:36:06.333479Z",
"structure_string": "Na4 Cd4 P4 O16\n1.0\n5.083198 0.000000 0.000000\n0.000000 6.561643 0.000000\n0.000000 0.000000 10.909231\nNa Cd P O\n4 4 4 16\ndirect\n0.499996 0.499588 -0.000004 Na\n0.500005 0.999588 0.000004 Na\n-0.000005 0.999588 0.500004 Na\n0.000005 0.499588 0.499996 Na\n0.020475 0.249584 0.214553 Cd\n0.479525 0.249584 0.714553 Cd\n0.520475 0.749584 0.285447 Cd\n0.979526 0.749584 0.785447 Cd\n0.569955 0.249585 0.397881 P\n0.930046 0.249585 0.897881 P\n0.430046 0.749585 0.602119 P\n0.069954 0.749585 0.102119 P\n0.766689 0.749585 0.103888 O\n0.233311 0.249585 0.896112 O\n0.193866 0.561451 0.169756 O\n0.306134 0.937714 0.669761 O\n0.693866 0.437714 0.330239 O\n0.193866 0.937714 0.169761 O\n0.806134 0.437714 0.830239 O\n0.820681 0.249591 0.030939 O\n0.179320 0.749591 0.969061 O\n0.679320 0.249591 0.530939 O\n0.320680 0.749591 0.469061 O\n0.693867 0.061451 0.330244 O\n0.306134 0.561451 0.669755 O\n0.806134 0.061451 0.830244 O\n0.266689 0.249585 0.396112 O\n0.733312 0.749585 0.603888 O\n",
"nsites": 28,
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"density": 4.205283377015594,
"density_atomic": 0.07695100014955003,
"volume": 363.86791523935415,
"volume_molar": 7.825942155782642,
"formula_full": "Na4 Cd4 P4 O16",
"formula_reduced": "NaCdPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.329551178571428,
"spacegroup": 62
},
{
"id": "jvasp-22441",
"created_at": "2022-09-04T14:36:45.783922Z",
"updated_at": "2022-09-04T14:36:45.783946Z",
"structure_string": "Na3 Cd2 Ir1 O6\n1.0\n5.658630 0.004056 -0.986250\n-3.069938 4.753482 -0.986250\n-0.025146 -0.046213 5.662627\nNa Cd Ir O\n3 2 1 6\ndirect\n0.500000 0.500001 0.500000 Na\n0.167549 0.832451 0.500000 Na\n0.832451 0.167550 0.500000 Na\n0.332778 0.667221 -0.000000 Cd\n0.667221 0.332779 0.000000 Cd\n0.000000 0.000000 0.000000 Ir\n0.781770 0.781771 0.208372 O\n0.218229 0.218230 0.791629 O\n0.071456 0.362608 0.217865 O\n0.637392 0.928544 0.782135 O\n0.362608 0.071457 0.217866 O\n0.928543 0.637393 0.782135 O\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Cd-Ir-Na-O",
"density": 6.3636381121622305,
"density_atomic": 0.07901528758269873,
"volume": 151.8693453775081,
"volume_molar": 7.621488124936741,
"formula_full": "Na3 Cd2 Ir1 O6",
"formula_reduced": "Na3Cd2IrO6",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 1.22519905,
"spacegroup": 12
},
{
"id": "jvasp-91322",
"created_at": "2022-09-04T14:36:10.846656Z",
"updated_at": "2022-09-04T14:36:10.846683Z",
"structure_string": "Na4 Ca2 V8 O24\n1.0\n4.962611 0.000000 -0.000000\n-0.000000 10.423553 0.000000\n-0.000000 -0.000000 10.423553\nNa Ca V O\n4 2 8 24\ndirect\n0.500000 0.500000 0.500000 Na\n0.500000 0.000000 0.000000 Na\n0.500000 0.500000 0.000000 Na\n0.500000 0.000000 0.500000 Na\n0.500000 0.250000 0.250000 Ca\n0.500000 0.750000 0.750000 Ca\n0.000000 0.027165 0.750000 V\n0.000000 0.527165 0.250000 V\n0.000000 0.250000 0.972835 V\n0.000000 0.972835 0.250000 V\n0.000000 0.472835 0.750000 V\n0.000000 0.750000 0.472835 V\n0.000000 0.250000 0.527165 V\n0.000000 0.750000 0.027165 V\n0.846273 0.870692 0.370692 O\n0.242126 0.438815 0.182010 O\n0.242126 0.182010 0.061185 O\n0.846273 0.129308 0.870692 O\n0.846273 0.370692 0.629308 O\n0.242126 0.561185 0.682010 O\n0.153727 0.370692 0.870692 O\n0.242126 0.938815 0.817989 O\n0.242126 0.682010 0.938815 O\n0.242126 0.817989 0.561185 O\n0.757874 0.682010 0.561185 O\n0.757874 0.938815 0.682010 O\n0.757874 0.561185 0.817989 O\n0.757874 0.817989 0.938815 O\n0.757874 0.438815 0.317989 O\n0.757874 0.061185 0.182010 O\n0.757874 0.317989 0.061185 O\n0.757874 0.182010 0.438815 O\n0.242126 0.317989 0.438815 O\n0.242126 0.061185 0.317989 O\n0.153727 0.629308 0.370692 O\n0.153727 0.129308 0.629308 O\n0.153727 0.870692 0.129308 O\n0.846273 0.629308 0.129308 O\n",
"nsites": 38,
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"elements": [
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],
"chemical_system": "Ca-Na-O-V",
"density": 2.9676919886979394,
"density_atomic": 0.07047609053881512,
"volume": 539.1899537768951,
"volume_molar": 8.544941573743042,
"formula_full": "Na4 Ca2 V8 O24",
"formula_reduced": "Na2CaV4O12",
"formula_anonymous": "AB2C4D12",
"energy_above_hull": 2.8160698536842106,
"spacegroup": 125
},
{
"id": "jvasp-86029",
"created_at": "2022-09-04T14:38:11.988557Z",
"updated_at": "2022-09-04T14:38:11.988580Z",
"structure_string": "Na2 Ca2 V2 O8\n1.0\n5.528233 0.017025 -0.000000\n-2.348746 5.004502 0.000000\n-0.000000 0.000000 7.130291\nNa Ca V O\n2 2 2 8\ndirect\n0.499999 0.499999 0.000000 Na\n0.499999 0.499999 0.500000 Na\n0.819206 0.180792 0.250000 Ca\n0.180792 0.819207 0.750000 Ca\n0.144891 0.855108 0.250000 V\n0.855107 0.144891 0.750000 V\n0.258839 0.199850 0.250000 O\n0.252518 0.747481 0.053675 O\n0.800149 0.741160 0.250000 O\n0.747480 0.252518 0.553675 O\n0.199849 0.258839 0.750000 O\n0.252518 0.747481 0.446325 O\n0.747480 0.252518 0.946325 O\n0.741159 0.800149 0.750000 O\n",
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"elements": [
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"O"
],
"chemical_system": "Ca-Na-O-V",
"density": 2.992499839643251,
"density_atomic": 0.07086737009875123,
"volume": 197.5521312628292,
"volume_molar": 8.497762442162529,
"formula_full": "Na2 Ca2 V2 O8",
"formula_reduced": "NaCaVO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.7034239457142863,
"spacegroup": 63
},
{
"id": "jvasp-86627",
"created_at": "2022-09-04T14:36:21.572496Z",
"updated_at": "2022-09-04T14:36:21.572530Z",
"structure_string": "Na2 Ca2 V2 O8\n1.0\n5.528270 0.016860 -0.000000\n-2.348910 5.004464 -0.000000\n-0.000000 -0.000000 7.129771\nNa Ca V O\n2 2 2 8\ndirect\n0.500000 0.500000 0.000000 Na\n0.500000 0.500000 0.500000 Na\n0.819257 0.180743 0.250000 Ca\n0.180743 0.819256 0.750000 Ca\n0.144915 0.855084 0.250000 V\n0.855085 0.144915 0.750000 V\n0.258873 0.199824 0.250000 O\n0.252539 0.747461 0.053666 O\n0.800176 0.741126 0.250000 O\n0.747461 0.252539 0.553666 O\n0.199824 0.258873 0.750000 O\n0.252539 0.747461 0.446334 O\n0.747461 0.252539 0.946334 O\n0.741127 0.800175 0.750000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Na",
"Ca",
"V",
"O"
],
"chemical_system": "Ca-Na-O-V",
"density": 2.992762347086098,
"density_atomic": 0.07087358671131691,
"volume": 197.53480315628664,
"volume_molar": 8.497017068614646,
"formula_full": "Na2 Ca2 V2 O8",
"formula_reduced": "NaCaVO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.703408231428572,
"spacegroup": 63
}
]
}