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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_full&page=1286",
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"results": [
{
"id": "jvasp-95568",
"created_at": "2022-09-04T14:36:04.734646Z",
"updated_at": "2022-09-04T14:36:04.734668Z",
"structure_string": "Rb8 Mg4 H16\n1.0\n14.010305 0.000000 0.000000\n0.000000 5.895147 0.000000\n0.000000 -0.000000 5.857441\nRb Mg H\n8 4 16\ndirect\n0.104492 0.000526 0.250000 Rb\n0.604492 0.499474 0.250000 Rb\n0.895507 -0.000526 0.750000 Rb\n0.395507 0.500526 0.750000 Rb\n0.395530 0.000588 0.250000 Rb\n0.895530 0.499412 0.250000 Rb\n0.604470 -0.000588 0.750000 Rb\n0.104470 0.500589 0.750000 Rb\n0.750006 0.499362 0.750000 Mg\n0.250006 0.000638 0.750000 Mg\n0.249994 0.500639 0.250000 Mg\n0.749993 -0.000638 0.250000 Mg\n0.749964 0.749321 0.499972 H\n0.249964 0.750680 0.000028 H\n0.749964 0.749321 0.000028 H\n0.249964 0.750680 0.499972 H\n0.250036 0.250679 0.500028 H\n0.750035 0.249321 -0.000028 H\n0.607712 0.499304 0.750000 H\n0.107702 0.500548 0.250000 H\n0.392288 0.500697 0.250000 H\n0.892288 0.999304 0.250000 H\n0.892298 0.499453 0.750000 H\n0.392298 0.000547 0.750000 H\n0.750035 0.249321 0.500028 H\n0.607702 -0.000547 0.250000 H\n0.107712 0.000696 0.750000 H\n0.250036 0.250679 -0.000028 H\n",
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"Rb",
"Mg",
"H"
],
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"density_atomic": 0.057877248928283116,
"volume": 483.78249689606656,
"volume_molar": 10.40502247690134,
"formula_full": "Rb8 Mg4 H16",
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{
"id": "jvasp-91420",
"created_at": "2022-09-04T14:35:46.465794Z",
"updated_at": "2022-09-04T14:35:46.465813Z",
"structure_string": "Rb8 Li4 Nb4 S16\n1.0\n7.041695 0.043767 0.291883\n1.168688 10.789806 3.592270\n0.051034 0.006479 11.867612\nRb Li Nb S\n8 4 4 16\ndirect\n0.265482 0.371978 0.278110 Rb\n0.734519 0.628023 0.721889 Rb\n0.749500 0.156197 0.856334 Rb\n0.751747 0.651547 0.348109 Rb\n0.250500 0.843804 0.143665 Rb\n0.675466 0.098304 0.251823 Rb\n0.324534 0.901696 0.748177 Rb\n0.248253 0.348454 0.651891 Rb\n0.171084 0.009438 0.414394 Li\n0.783651 0.480603 0.071386 Li\n0.828916 0.990563 0.585605 Li\n0.216349 0.519398 0.928614 Li\n0.776769 0.274682 0.485938 Nb\n0.223231 0.725319 0.514062 Nb\n0.211578 0.229205 0.013202 Nb\n0.788423 0.770796 0.986797 Nb\n0.266098 0.101093 0.898369 S\n0.454786 0.856813 0.465290 S\n0.160576 0.115651 0.206984 S\n0.061115 0.146563 0.532168 S\n0.958472 0.376320 0.935533 S\n0.533698 0.661745 0.993905 S\n0.733902 0.898907 0.101631 S\n0.041529 0.623681 0.064466 S\n0.240331 0.619275 0.713297 S\n0.938885 0.853438 0.467831 S\n0.746900 0.404429 0.599367 S\n0.253100 0.595572 0.400633 S\n0.759669 0.380726 0.286702 S\n0.466302 0.338256 0.006094 S\n0.545214 0.143188 0.534709 S\n0.839424 0.884350 0.793015 S\n",
"nsites": 32,
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"elements": [
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"Li",
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"S"
],
"chemical_system": "Li-Nb-Rb-S",
"density": 2.9425144246875976,
"density_atomic": 0.03552546857969608,
"volume": 900.7622215654321,
"volume_molar": 16.95161527986669,
"formula_full": "Rb8 Li4 Nb4 S16",
"formula_reduced": "Rb2LiNbS4",
"formula_anonymous": "ABC2D4",
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"spacegroup": 2
},
{
"id": "jvasp-12807",
"created_at": "2022-09-04T14:38:13.997305Z",
"updated_at": "2022-09-04T14:38:13.997316Z",
"structure_string": "Rb8 In4 S10\n1.0\n7.074328 -0.044914 2.594368\n-0.256271 8.948517 2.749740\n-0.079995 -0.037857 10.933792\nRb In S\n8 4 10\ndirect\n0.766610 0.473666 0.664058 Rb\n0.233391 0.526335 0.335942 Rb\n0.506320 0.790639 0.912057 Rb\n0.459110 0.816256 0.452509 Rb\n0.540891 0.183745 0.547491 Rb\n0.880101 0.818848 0.090111 Rb\n0.119900 0.181153 0.909889 Rb\n0.493682 0.209362 0.087943 Rb\n0.031216 -0.007070 0.341114 In\n0.123286 0.593134 0.827517 In\n0.876715 0.406866 0.172482 In\n0.968785 0.007071 0.658886 In\n0.729906 0.521068 0.351975 S\n0.735873 0.113519 0.819468 S\n0.270095 0.478933 0.648025 S\n0.219006 0.479573 0.038460 S\n0.178648 0.158553 0.429102 S\n0.821354 0.841448 0.570898 S\n0.199490 0.870668 0.768017 S\n0.800511 0.129332 0.231983 S\n0.780995 0.520428 0.961540 S\n0.264128 0.886482 0.180531 S\n",
"nsites": 22,
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"elements": [
"Rb",
"In",
"S"
],
"chemical_system": "In-Rb-S",
"density": 3.498775068001714,
"density_atomic": 0.03167000242651649,
"volume": 694.6636663841856,
"volume_molar": 19.015283544651115,
"formula_full": "Rb8 In4 S10",
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"formula_anonymous": "A2B4C5",
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},
{
"id": "jvasp-119418",
"created_at": "2022-09-04T14:38:32.943273Z",
"updated_at": "2022-09-04T14:38:32.943308Z",
"structure_string": "Rb8 I4 O4\n1.0\n5.632991 -0.000000 0.000000\n0.000000 7.964819 0.000000\n0.000000 -0.000000 11.787385\nRb I O\n8 4 4\ndirect\n0.250000 0.646714 0.939782 Rb\n0.250000 0.146714 0.560219 Rb\n0.750000 0.353286 0.060219 Rb\n0.750000 0.853286 0.439782 Rb\n0.250000 0.586268 0.283516 Rb\n0.250000 0.086268 0.216484 Rb\n0.750000 0.413733 0.716484 Rb\n0.750000 0.913733 0.783517 Rb\n0.250000 0.675783 0.614868 I\n0.250000 0.175783 0.885132 I\n0.750000 0.324217 0.385132 I\n0.750000 0.824217 0.114868 I\n0.250000 0.888988 0.394269 O\n0.250000 0.388987 0.105731 O\n0.750000 0.111013 0.605732 O\n0.750000 0.611013 0.894269 O\n",
"nsites": 16,
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"elements": [
"Rb",
"I",
"O"
],
"chemical_system": "I-O-Rb",
"density": 3.9417058645158107,
"density_atomic": 0.030254330417821412,
"volume": 528.8499126913464,
"volume_molar": 19.905053844631244,
"formula_full": "Rb8 I4 O4",
"formula_reduced": "Rb2IO",
"formula_anonymous": "ABC2",
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"spacegroup": 62
},
{
"id": "jvasp-97677",
"created_at": "2022-09-04T14:35:41.785390Z",
"updated_at": "2022-09-04T14:35:41.785420Z",
"structure_string": "Rb8 Ge4 B16 O36\n1.0\n6.603533 0.000000 -0.041575\n0.000000 9.955903 0.000000\n0.004471 0.000000 13.206224\nRb Ge B O\n8 4 16 36\ndirect\n0.777785 0.376118 0.118705 Rb\n0.222214 0.876118 0.881294 Rb\n0.253198 0.655067 0.116903 Rb\n0.746801 0.155067 0.883097 Rb\n0.771156 0.154723 0.366097 Rb\n0.228844 0.654723 0.633903 Rb\n0.706816 0.430867 0.626349 Rb\n0.293183 0.930867 0.373651 Rb\n0.243916 0.158387 0.616054 Ge\n0.756084 0.658387 0.383945 Ge\n0.741412 0.647504 0.870574 Ge\n0.258587 0.147504 0.129425 Ge\n0.130123 0.349814 0.754660 B\n0.869877 0.849814 0.245339 B\n0.046340 0.462489 0.426179 B\n0.953660 0.962489 0.573821 B\n0.340290 0.342328 0.983410 B\n0.503880 0.960530 0.678078 B\n0.496119 0.460530 0.321921 B\n0.659709 0.842328 0.016589 B\n0.192482 0.322432 0.291747 B\n0.068152 0.481208 0.908715 B\n0.931847 0.981208 0.091284 B\n0.652908 0.821528 0.544652 B\n0.347092 0.321528 0.455347 B\n0.399974 0.485458 0.836751 B\n0.600025 0.985458 0.163248 B\n0.807517 0.822432 0.708252 B\n0.732022 0.740292 0.625809 O\n0.521148 0.407344 0.417449 O\n0.478852 0.907343 0.582550 O\n0.024769 0.414197 0.329623 O\n0.975230 0.914197 0.670376 O\n0.189224 0.417780 0.493931 O\n0.810775 0.917779 0.506068 O\n0.988688 0.395218 0.821881 O\n0.325458 0.394696 0.750802 O\n0.011311 0.895218 0.178118 O\n0.358034 0.414634 0.252576 O\n0.641965 0.914634 0.747424 O\n0.520115 0.894811 0.082043 O\n0.479884 0.394811 0.917957 O\n0.267977 0.240292 0.374191 O\n0.674541 0.894696 0.249198 O\n0.232499 0.565602 0.874127 O\n0.584373 0.741744 0.954615 O\n0.562194 0.565099 0.793476 O\n0.938091 0.752896 0.314273 O\n0.061909 0.252896 0.685726 O\n0.415627 0.241744 0.045384 O\n0.856854 0.885114 0.010554 O\n0.575270 0.740047 0.459422 O\n0.424729 0.240047 0.540577 O\n0.918347 0.562009 0.463958 O\n0.081653 0.062009 0.536041 O\n0.098931 0.056362 0.046375 O\n0.901069 0.556361 0.953624 O\n0.618650 0.566827 0.289618 O\n0.381349 0.066827 0.710381 O\n0.104278 0.243933 0.210066 O\n0.895722 0.743933 0.789933 O\n0.437806 0.065099 0.206523 O\n0.767501 0.065602 0.125872 O\n0.143145 0.385114 0.989445 O\n",
"nsites": 64,
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"elements": [
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"B",
"O"
],
"chemical_system": "B-Ge-O-Rb",
"density": 3.2958125578086563,
"density_atomic": 0.07371288002506271,
"volume": 868.2336109814148,
"volume_molar": 8.169726590458065,
"formula_full": "Rb8 Ge4 B16 O36",
"formula_reduced": "Rb2GeB4O9",
"formula_anonymous": "AB2C4D9",
"energy_above_hull": 2.8547042364583333,
"spacegroup": 4
},
{
"id": "jvasp-51619",
"created_at": "2022-09-04T14:38:35.321475Z",
"updated_at": "2022-09-04T14:38:35.321502Z",
"structure_string": "Rb8 Fe4 O10\n1.0\n6.592969 -0.044699 2.680249\n1.667029 7.037441 0.677699\n-0.010382 -0.022350 9.474471\nRb Fe O\n8 4 10\ndirect\n0.460391 0.250000 0.079218 Rb\n0.539610 0.750000 0.920782 Rb\n0.022087 0.250000 0.955826 Rb\n0.977913 0.750000 0.044174 Rb\n0.467103 0.885510 0.361284 Rb\n0.171614 0.614490 0.361284 Rb\n0.828387 0.385510 0.638716 Rb\n0.532898 0.114490 0.638716 Rb\n0.001493 0.906349 0.693949 Fe\n0.695443 0.406349 0.306051 Fe\n0.304558 0.593651 0.693949 Fe\n0.998507 0.093651 0.306051 Fe\n0.790500 0.046217 0.847251 O\n0.209501 0.953783 0.152749 O\n0.273493 0.867365 0.711779 O\n0.362250 0.453783 0.847251 O\n0.726508 0.132635 0.288221 O\n0.985270 0.367365 0.288221 O\n0.000000 -0.000000 0.500000 O\n0.637751 0.546217 0.152749 O\n0.014730 0.632635 0.711779 O\n0.500000 0.500000 0.500000 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
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"Fe",
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],
"chemical_system": "Fe-O-Rb",
"density": 4.022719779479185,
"density_atomic": 0.04994379851021828,
"volume": 440.4951296505591,
"volume_molar": 12.057834885682349,
"formula_full": "Rb8 Fe4 O10",
"formula_reduced": "Rb4Fe2O5",
"formula_anonymous": "A2B4C5",
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"spacegroup": 15
},
{
"id": "jvasp-51574",
"created_at": "2022-09-04T14:37:50.034330Z",
"updated_at": "2022-09-04T14:37:50.034358Z",
"structure_string": "Rb8 Cu4 Cl12\n1.0\n4.187218 -0.000000 0.000000\n0.000000 12.472052 0.000000\n0.000000 0.000000 12.982358\nRb Cu Cl\n8 4 12\ndirect\n0.750000 0.328017 0.025834 Rb\n0.250000 0.171983 0.525834 Rb\n0.750000 0.828017 0.474166 Rb\n0.250000 0.513929 0.326926 Rb\n0.750000 0.986071 0.826926 Rb\n0.250000 0.671983 0.974166 Rb\n0.750000 0.486071 0.673074 Rb\n0.250000 0.013929 0.173074 Rb\n0.750000 0.744238 0.192118 Cu\n0.250000 0.255762 0.807882 Cu\n0.750000 0.244238 0.307882 Cu\n0.250000 0.755762 0.692118 Cu\n0.250000 0.138898 0.949883 Cl\n0.250000 0.936456 0.639353 Cl\n0.750000 0.361102 0.449883 Cl\n0.250000 0.638898 0.550117 Cl\n0.250000 0.774803 0.280350 Cl\n0.250000 0.436456 0.860647 Cl\n0.750000 0.861102 0.050117 Cl\n0.750000 0.063544 0.360647 Cl\n0.250000 0.274804 0.219650 Cl\n0.750000 0.725196 0.780350 Cl\n0.750000 0.225196 0.719650 Cl\n0.750000 0.563544 0.139353 Cl\n",
"nsites": 24,
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"elements": [
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],
"chemical_system": "Cl-Cu-Rb",
"density": 3.3392070126620497,
"density_atomic": 0.03539925935580315,
"volume": 677.9802865018298,
"volume_molar": 17.012052990913116,
"formula_full": "Rb8 Cu4 Cl12",
"formula_reduced": "Rb2CuCl3",
"formula_anonymous": "AB2C3",
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"spacegroup": 62
},
{
"id": "jvasp-120565",
"created_at": "2022-09-04T14:38:45.964279Z",
"updated_at": "2022-09-04T14:38:45.964296Z",
"structure_string": "Rb8 Co4 O12\n1.0\n6.550448 -0.004739 -3.227654\n3.437276 7.376772 -1.295790\n-0.010071 0.047148 8.240704\nRb Co O\n8 4 12\ndirect\n0.816965 0.208997 0.531032 Rb\n0.816959 0.709001 0.031040 Rb\n0.505072 0.959003 0.281027 Rb\n0.505072 0.458996 0.781025 Rb\n0.494930 0.531029 0.208998 Rb\n0.494921 0.031036 0.709003 Rb\n0.183043 0.281028 0.959000 Rb\n0.183039 0.781027 0.458993 Rb\n0.927844 0.119995 0.119996 Co\n0.072159 0.369997 0.369997 Co\n0.927838 0.619996 0.619997 Co\n0.072162 0.869996 0.869996 Co\n0.119707 0.625282 0.864724 O\n0.679378 0.119963 0.119968 O\n0.679370 0.619963 0.619968 O\n0.320627 0.369975 0.369969 O\n0.320631 0.869973 0.869970 O\n0.880292 0.114724 0.875281 O\n0.880299 0.614725 0.375285 O\n0.880258 0.864724 0.625282 O\n0.880247 0.364725 0.125282 O\n0.119748 0.875282 0.114725 O\n0.119755 0.375286 0.614727 O\n0.119699 0.125282 0.364726 O\n",
"nsites": 24,
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"elements": [
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],
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"density": 4.6376039265917495,
"density_atomic": 0.06030576674581084,
"volume": 397.9718905019505,
"volume_molar": 9.986011429691887,
"formula_full": "Rb8 Co4 O12",
"formula_reduced": "Rb2CoO3",
"formula_anonymous": "AB2C3",
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"spacegroup": 63
},
{
"id": "jvasp-99325",
"created_at": "2022-09-04T14:36:41.968299Z",
"updated_at": "2022-09-04T14:36:41.968316Z",
"structure_string": "Rb8 Co4 Cl16\n1.0\n7.070423 0.000000 0.000000\n-0.000000 9.298940 0.000000\n0.000000 0.000000 12.391559\nRb Co Cl\n8 4 16\ndirect\n0.750000 0.978802 0.829588 Rb\n0.750000 0.478802 0.670412 Rb\n0.250000 0.521198 0.329588 Rb\n0.750000 0.631809 0.095093 Rb\n0.250000 0.368191 0.904907 Rb\n0.750000 0.131809 0.404907 Rb\n0.250000 0.868191 0.595093 Rb\n0.250000 0.021198 0.170412 Rb\n0.750000 0.228958 0.075794 Co\n0.250000 0.771042 0.924206 Co\n0.750000 0.728958 0.424206 Co\n0.250000 0.271042 0.575794 Co\n0.250000 0.511569 0.597734 Cl\n0.750000 0.488431 0.402266 Cl\n0.493776 0.826172 0.347162 Cl\n0.750000 0.314505 0.905752 Cl\n0.250000 0.685495 0.094248 Cl\n0.750000 0.814505 0.594248 Cl\n0.250000 0.185495 0.405752 Cl\n0.493776 0.326172 0.152838 Cl\n-0.006224 0.673828 0.847162 Cl\n0.006224 0.826172 0.347162 Cl\n0.506224 0.173828 0.652838 Cl\n0.506224 0.673828 0.847162 Cl\n0.006224 0.326172 0.152838 Cl\n-0.006224 0.173828 0.652838 Cl\n0.750000 0.988430 0.097734 Cl\n0.250000 0.011569 0.902266 Cl\n",
"nsites": 28,
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"elements": [
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],
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"density": 3.03022180278904,
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"volume": 814.7132725853651,
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"formula_full": "Rb8 Co4 Cl16",
"formula_reduced": "Rb2CoCl4",
"formula_anonymous": "AB2C4",
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"spacegroup": 62
},
{
"id": "jvasp-97924",
"created_at": "2022-09-04T14:35:53.567110Z",
"updated_at": "2022-09-04T14:35:53.567137Z",
"structure_string": "Rb8 Cd8 S12 O48\n1.0\n10.368888 0.000000 -0.000000\n-0.000000 10.368888 -0.000000\n-0.000000 0.000000 10.368888\nRb Cd S O\n8 8 12 48\ndirect\n0.433515 0.933515 0.566485 Rb\n0.566485 0.433515 0.933515 Rb\n0.690008 0.809993 0.190007 Rb\n0.933515 0.566485 0.433515 Rb\n0.309993 0.309993 0.309993 Rb\n0.190007 0.690008 0.809993 Rb\n0.066485 0.066485 0.066485 Rb\n0.809993 0.190007 0.690008 Rb\n0.668621 0.168621 0.331380 Cd\n0.831380 0.831380 0.831380 Cd\n0.914053 0.414053 0.085947 Cd\n0.085947 0.914053 0.414053 Cd\n0.585947 0.585947 0.585947 Cd\n0.168621 0.331380 0.668621 Cd\n0.331380 0.668621 0.168621 Cd\n0.414053 0.085947 0.914053 Cd\n0.372468 0.979501 0.236816 S\n0.872468 0.520500 0.763184 S\n0.627532 0.479501 0.263184 S\n0.263184 0.627532 0.479501 S\n0.763184 0.872468 0.520500 S\n0.520500 0.763184 0.872468 S\n0.236816 0.372468 0.979501 S\n0.127532 0.020499 0.736817 S\n0.736817 0.127532 0.020499 S\n0.020499 0.736817 0.127532 S\n0.979501 0.236816 0.372468 S\n0.479501 0.263184 0.627532 S\n0.973404 0.428366 0.721216 O\n0.306434 0.250671 0.014659 O\n0.726433 0.913799 0.654235 O\n0.845765 0.273567 0.413799 O\n0.273567 0.413799 0.845765 O\n0.345765 0.226433 0.586201 O\n0.154235 0.773567 0.086201 O\n0.773567 0.086201 0.154235 O\n0.086201 0.154235 0.773567 O\n0.473403 0.071634 0.278785 O\n0.347821 -0.014995 0.096692 O\n0.221215 0.526597 0.571634 O\n0.485341 0.693567 0.750671 O\n0.749329 0.514659 0.193566 O\n0.750671 0.485341 0.693567 O\n0.250671 0.014659 0.306434 O\n0.152179 0.014995 0.596692 O\n0.596692 0.152179 0.014995 O\n0.014995 0.596692 0.152179 O\n0.485005 0.403308 0.652179 O\n0.096692 0.347821 -0.014995 O\n-0.014995 0.096692 0.347821 O\n0.903308 0.847822 0.514995 O\n0.403308 0.652179 0.485005 O\n0.514995 0.903308 0.847822 O\n0.652179 0.485005 0.403308 O\n0.847822 0.514995 0.903308 O\n0.193566 0.749329 0.514659 O\n0.428366 0.721216 0.973404 O\n0.693567 0.750671 0.485341 O\n0.014659 0.306434 0.250671 O\n0.721216 0.973404 0.428366 O\n0.071634 0.278785 0.473403 O\n0.278785 0.473403 0.071634 O\n0.571634 0.221215 0.526597 O\n0.928366 0.778785 0.026597 O\n0.778785 0.026597 0.928366 O\n0.026597 0.928366 0.778785 O\n0.654235 0.726433 0.913799 O\n0.586201 0.345765 0.226433 O\n0.913799 0.654235 0.726433 O\n0.413799 0.845765 0.273567 O\n0.249329 -0.014659 0.806434 O\n0.806434 0.249329 -0.014659 O\n-0.014659 0.806434 0.249329 O\n0.514659 0.193566 0.749329 O\n0.226433 0.586201 0.345765 O\n0.526597 0.571634 0.221215 O\n",
"nsites": 76,
"nelements": 4,
"elements": [
"Rb",
"Cd",
"S",
"O"
],
"chemical_system": "Cd-O-Rb-S",
"density": 4.075059660875563,
"density_atomic": 0.06817372774811452,
"volume": 1114.7989483691088,
"volume_molar": 8.833521297603612,
"formula_full": "Rb8 Cd8 S12 O48",
"formula_reduced": "Rb2Cd2(SO4)3",
"formula_anonymous": "A2B2C3D12",
"energy_above_hull": 1.8332390263157887,
"spacegroup": 198
},
{
"id": "jvasp-13380",
"created_at": "2022-09-04T14:38:03.957618Z",
"updated_at": "2022-09-04T14:38:03.957634Z",
"structure_string": "Rb8 Cd4 O8\n1.0\n6.353186 -0.000000 0.000000\n0.000000 6.390913 0.000000\n0.000000 0.000000 10.565179\nRb Cd O\n8 4 8\ndirect\n0.396637 0.107719 0.344220 Rb\n0.603364 0.392280 0.844220 Rb\n0.896637 0.892280 0.344220 Rb\n0.103363 0.607719 0.844220 Rb\n0.603364 0.892280 0.655781 Rb\n0.396637 0.607719 0.155780 Rb\n0.896637 0.392280 0.155780 Rb\n0.103363 0.107719 0.655781 Rb\n0.250000 0.040259 0.000000 Cd\n0.750000 0.959741 0.000000 Cd\n0.250000 0.540258 0.500000 Cd\n0.750000 0.459741 0.500000 Cd\n0.519038 0.190660 0.096451 O\n0.019037 0.809340 0.096451 O\n0.519038 0.690660 0.403549 O\n0.480963 0.309340 0.596451 O\n0.480963 0.809340 0.903549 O\n0.980963 0.190660 0.903549 O\n0.019037 0.309340 0.403549 O\n0.980963 0.690660 0.596451 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Rb",
"Cd",
"O"
],
"chemical_system": "Cd-O-Rb",
"density": 4.882747359821973,
"density_atomic": 0.04662283310066976,
"volume": 428.974360198473,
"volume_molar": 12.916719897730728,
"formula_full": "Rb8 Cd4 O8",
"formula_reduced": "Rb2CdO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0,
"spacegroup": 60
},
{
"id": "jvasp-58864",
"created_at": "2022-09-04T14:36:57.729119Z",
"updated_at": "2022-09-04T14:36:57.729146Z",
"structure_string": "Rb8 Cd4 O8\n1.0\n6.353186 -0.000000 0.000000\n-0.000000 6.390913 0.000000\n0.000000 0.000000 10.565179\nRb Cd O\n8 4 8\ndirect\n0.396637 0.107719 0.344220 Rb\n0.603364 0.392280 0.844220 Rb\n0.896637 0.892280 0.344220 Rb\n0.103363 0.607719 0.844220 Rb\n0.603364 0.892280 0.655781 Rb\n0.396637 0.607719 0.155780 Rb\n0.896637 0.392280 0.155780 Rb\n0.103363 0.107719 0.655781 Rb\n0.250000 0.040259 0.000000 Cd\n0.750000 0.959741 0.000000 Cd\n0.250000 0.540258 0.500000 Cd\n0.750000 0.459741 0.500000 Cd\n0.519038 0.190660 0.096451 O\n0.019037 0.809340 0.096451 O\n0.519038 0.690660 0.403549 O\n0.480963 0.309340 0.596451 O\n0.480963 0.809340 0.903549 O\n0.980963 0.190660 0.903549 O\n0.019037 0.309340 0.403549 O\n0.980963 0.690660 0.596451 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Rb",
"Cd",
"O"
],
"chemical_system": "Cd-O-Rb",
"density": 4.882747359821973,
"density_atomic": 0.04662283310066976,
"volume": 428.974360198473,
"volume_molar": 12.916719897730728,
"formula_full": "Rb8 Cd4 O8",
"formula_reduced": "Rb2CdO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0,
"spacegroup": 60
}
]
}