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{
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"results": [
{
"id": "jvasp-109247",
"created_at": "2022-09-04T14:38:17.542859Z",
"updated_at": "2022-09-04T14:38:17.542884Z",
"structure_string": "Rb2 Ga1 Ag1 I6\n1.0\n7.101363 -0.000000 4.099974\n2.367121 6.695229 4.099974\n-0.000000 -0.000000 8.199948\nRb Ga Ag I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ag\n0.754269 0.245731 0.245731 I\n0.245731 0.245731 0.754269 I\n0.245731 0.754269 0.754269 I\n0.245731 0.754269 0.245730 I\n0.754269 0.245731 0.754269 I\n0.754269 0.754269 0.245730 I\n",
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{
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"structure_string": "Rb2 Ga1 Au1 Br6\n1.0\n6.585859 0.000000 3.802347\n2.195286 6.209207 3.802347\n0.000000 0.000000 7.604695\nRb Ga Au Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Au\n0.756617 0.243384 0.243384 Br\n0.243384 0.243384 0.756616 Br\n0.243384 0.756617 0.756616 Br\n0.243384 0.756617 0.243384 Br\n0.756617 0.243384 0.756616 Br\n0.756617 0.756617 0.243384 Br\n",
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},
{
"id": "jvasp-108858",
"created_at": "2022-09-04T14:38:27.109117Z",
"updated_at": "2022-09-04T14:38:27.109138Z",
"structure_string": "Rb2 Ga1 Au1 F6\n1.0\n5.354577 -0.000000 3.091467\n1.784859 5.048344 3.091467\n-0.000000 -0.000000 6.182933\nRb Ga Au F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750001 0.749999 0.750000 Rb\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Au\n0.219776 0.219776 0.780224 F\n0.219776 0.780224 0.780224 F\n0.780225 0.780224 0.219776 F\n0.219776 0.780224 0.219776 F\n0.780225 0.219776 0.780224 F\n0.780225 0.219776 0.219776 F\n",
"nsites": 10,
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"volume": 167.1354785366004,
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"formula_full": "Rb2 Ga1 Au1 F6",
"formula_reduced": "Rb2GaAuF6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-102407",
"created_at": "2022-09-04T14:36:44.323807Z",
"updated_at": "2022-09-04T14:36:44.323838Z",
"structure_string": "Rb2 Ga1 Au1 I6\n1.0\n7.096423 0.000000 4.097122\n2.365474 6.690572 4.097122\n-0.000000 0.000000 8.194243\nRb Ga Au I\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Au\n0.751055 0.248945 0.248945 I\n0.248944 0.248945 0.751055 I\n0.248944 0.751055 0.751055 I\n0.248944 0.751055 0.248945 I\n0.751055 0.248945 0.751055 I\n0.751055 0.751055 0.248945 I\n",
"nsites": 10,
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"elements": [
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],
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"density": 5.117708308801544,
"density_atomic": 0.025703272333152373,
"volume": 389.0555206506483,
"volume_molar": 23.429471088132907,
"formula_full": "Rb2 Ga1 Au1 I6",
"formula_reduced": "Rb2GaAuI6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-105000",
"created_at": "2022-09-04T14:36:44.987789Z",
"updated_at": "2022-09-04T14:36:44.987810Z",
"structure_string": "Rb2 Ga1 Cu1 F6\n1.0\n5.125540 -0.000000 2.959232\n1.708513 4.832406 2.959232\n-0.000000 -0.000000 5.918464\nRb Ga Cu F\n2 1 1 6\ndirect\n0.749999 0.750001 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ga\n0.499999 0.500000 0.499999 Cu\n0.768186 0.231813 0.231813 F\n0.231813 0.231813 0.768186 F\n0.231812 0.768187 0.768186 F\n0.231812 0.768187 0.231813 F\n0.768186 0.231813 0.768186 F\n0.768186 0.768187 0.231813 F\n",
"nsites": 10,
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],
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"density_atomic": 0.0682162666675272,
"volume": 146.59260156727797,
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},
{
"id": "jvasp-105054",
"created_at": "2022-09-04T14:36:49.135085Z",
"updated_at": "2022-09-04T14:36:49.135107Z",
"structure_string": "Rb2 Ga1 Hg1 Br6\n1.0\n6.713521 -0.000000 3.876053\n2.237840 6.329568 3.876053\n-0.000000 -0.000000 7.752106\nRb Ga Hg Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Hg\n0.761582 0.238418 0.238418 Br\n0.238418 0.238418 0.761582 Br\n0.238418 0.761582 0.761582 Br\n0.238418 0.761582 0.238418 Br\n0.761582 0.238418 0.761582 Br\n0.761582 0.761582 0.238418 Br\n",
"nsites": 10,
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"elements": [
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],
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"density": 4.640985287477339,
"density_atomic": 0.030356792062603,
"volume": 329.4155712954649,
"volume_molar": 19.83786938877105,
"formula_full": "Rb2 Ga1 Hg1 Br6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-107410",
"created_at": "2022-09-04T14:36:55.226046Z",
"updated_at": "2022-09-04T14:36:55.226069Z",
"structure_string": "Rb2 Ga1 Hg1 Cl6\n1.0\n6.366792 -0.000000 3.675869\n2.122264 6.002669 3.675869\n-0.000000 -0.000000 7.351738\nRb Ga Hg Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Hg\n0.767124 0.232876 0.232876 Cl\n0.232875 0.232876 0.767125 Cl\n0.232875 0.767124 0.767125 Cl\n0.232875 0.767124 0.232876 Cl\n0.767124 0.232876 0.767125 Cl\n0.767124 0.767124 0.232876 Cl\n",
"nsites": 10,
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],
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"density_atomic": 0.03559138764165391,
"volume": 280.9668479544369,
"volume_molar": 16.920219072751372,
"formula_full": "Rb2 Ga1 Hg1 Cl6",
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},
{
"id": "jvasp-99722",
"created_at": "2022-09-04T14:36:30.990765Z",
"updated_at": "2022-09-04T14:36:30.990775Z",
"structure_string": "Rb2 Ga1 Hg1 F6\n1.0\n5.456645 0.000000 3.150395\n1.818882 5.144575 3.150395\n-0.000000 -0.000000 6.300790\nRb Ga Hg F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750001 0.749999 0.750001 Rb\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500001 Hg\n0.216168 0.216167 0.783833 F\n0.216168 0.783832 0.783834 F\n0.783833 0.783832 0.216169 F\n0.216168 0.783832 0.216168 F\n0.783833 0.216167 0.783833 F\n0.783833 0.216167 0.216168 F\n",
"nsites": 10,
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],
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"volume": 176.87652951487868,
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},
{
"id": "jvasp-108593",
"created_at": "2022-09-04T14:38:17.630916Z",
"updated_at": "2022-09-04T14:38:17.630940Z",
"structure_string": "Rb2 Ga1 Hg1 I6\n1.0\n7.223212 -0.000000 4.170324\n2.407737 6.810110 4.170324\n-0.000000 -0.000000 8.340647\nRb Ga Hg I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Hg\n0.756859 0.243141 0.243140 I\n0.243141 0.243141 0.756860 I\n0.243141 0.756859 0.756859 I\n0.243141 0.756859 0.243140 I\n0.756859 0.243141 0.756859 I\n0.756859 0.756859 0.243140 I\n",
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],
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"density_atomic": 0.024373380620771677,
"volume": 410.28366789126164,
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},
{
"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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],
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},
{
"id": "jvasp-24267",
"created_at": "2022-09-04T14:38:19.472626Z",
"updated_at": "2022-09-04T14:38:19.472650Z",
"structure_string": "Rb4 Ge4 Bi4 S16\n1.0\n0.000000 6.634649 -0.007339\n6.811080 0.000000 0.000000\n0.000000 -5.624196 -16.935074\nRb Ge Bi S\n4 4 4 16\ndirect\n0.275130 0.746760 0.533868 Rb\n0.724869 0.246760 0.966132 Rb\n0.724870 0.253240 0.466132 Rb\n0.275130 0.753240 0.033868 Rb\n0.206377 0.230677 0.658654 Ge\n0.793622 0.730677 0.841346 Ge\n0.793623 0.769323 0.341346 Ge\n0.206377 0.269323 0.158654 Ge\n0.761673 0.215330 0.220681 Bi\n0.761673 0.284670 0.720681 Bi\n0.238327 0.715330 0.279319 Bi\n0.238326 0.784670 0.779319 Bi\n0.582950 0.826382 0.216814 S\n-0.002401 0.501547 0.355798 S\n0.582950 0.673618 0.716814 S\n0.586901 0.757933 0.418176 S\n0.030246 0.012244 0.364189 S\n0.413098 0.242067 0.581824 S\n0.969753 0.987756 0.635811 S\n0.586901 0.742067 0.918176 S\n0.417050 0.326382 0.283186 S\n-0.002401 -0.001547 0.855798 S\n0.002400 0.498454 0.644202 S\n0.002400 0.001547 0.144202 S\n0.417049 0.173618 0.783186 S\n0.969754 0.512244 0.135811 S\n0.413099 0.257933 0.081824 S\n0.030246 0.487756 0.864189 S\n",
"nsites": 28,
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],
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"volume": 765.5623117127044,
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"formula_full": "Rb4 Ge4 Bi4 S16",
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},
{
"id": "jvasp-26365",
"created_at": "2022-09-04T14:37:47.759341Z",
"updated_at": "2022-09-04T14:37:47.759350Z",
"structure_string": "Rb1 Ge1 I1 O6\n1.0\n5.105494 0.000042 -0.000055\n2.552704 4.421549 -0.000046\n0.000046 -0.000030 6.361379\nRb Ge I O\n1 1 1 6\ndirect\n0.999998 0.000002 -0.000000 Rb\n0.333329 0.333334 0.500000 Ge\n0.666666 0.666666 0.500001 I\n0.997852 0.617820 0.328865 O\n0.617816 0.997849 0.671134 O\n0.384332 0.617816 0.671134 O\n0.997852 0.384326 0.671136 O\n0.617817 0.384333 0.328867 O\n0.384332 0.997853 0.328866 O\n",
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],
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}
]
}