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{
"id": "jvasp-107813",
"created_at": "2022-09-04T14:36:42.752899Z",
"updated_at": "2022-09-04T14:36:42.752912Z",
"structure_string": "K2 Rb1 As1 Cl6\n1.0\n6.729923 -0.000000 3.885523\n2.243308 6.345032 3.885523\n-0.000000 -0.000000 7.771046\nK Rb As Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 As\n0.772702 0.227297 0.227297 Cl\n0.227297 0.227297 0.772703 Cl\n0.227298 0.772702 0.772703 Cl\n0.227298 0.772702 0.227297 Cl\n0.772702 0.227297 0.772703 Cl\n0.772703 0.772702 0.227297 Cl\n",
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{
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"structure_string": "K1 Rb2 As1 Br6\n1.0\n6.969442 -0.000000 4.023809\n2.323147 6.570853 4.023809\n-0.000000 -0.000000 8.047619\nK Rb As Br\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 As\n0.766737 0.233263 0.233263 Br\n0.233263 0.233263 0.766737 Br\n0.233264 0.766736 0.766737 Br\n0.233264 0.766736 0.233263 Br\n0.766737 0.233263 0.766737 Br\n0.766737 0.766736 0.233263 Br\n",
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{
"id": "jvasp-107601",
"created_at": "2022-09-04T14:37:09.399820Z",
"updated_at": "2022-09-04T14:37:09.399845Z",
"structure_string": "K2 Rb1 As1 Br6\n1.0\n7.091855 -0.000000 4.094485\n2.363952 6.686265 4.094485\n-0.000000 -0.000000 8.188969\nK Rb As Br\n2 1 1 6\ndirect\n0.750000 0.750001 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.499999 Rb\n0.000000 0.000000 0.000000 As\n0.770942 0.229059 0.229058 Br\n0.229059 0.229059 0.770941 Br\n0.229058 0.770942 0.770941 Br\n0.229058 0.770942 0.229058 Br\n0.770942 0.229059 0.770941 Br\n0.770942 0.770942 0.229057 Br\n",
"nsites": 10,
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"chemical_system": "As-Br-K-Rb",
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"density_atomic": 0.025752971089237145,
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"formula_full": "K2 Rb1 As1 Br6",
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"spacegroup": 225
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{
"id": "jvasp-107809",
"created_at": "2022-09-04T14:36:34.418964Z",
"updated_at": "2022-09-04T14:36:34.418995Z",
"structure_string": "K2 Rb1 Al1 I6\n1.0\n7.478499 -0.000000 4.317713\n2.492833 7.050796 4.317713\n-0.000000 -0.000000 8.635427\nK Rb Al I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Al\n0.774116 0.225884 0.225884 I\n0.225884 0.225884 0.774116 I\n0.225884 0.774116 0.774116 I\n0.225884 0.774116 0.225884 I\n0.774116 0.225884 0.774116 I\n0.774115 0.774116 0.225884 I\n",
"nsites": 10,
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"elements": [
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"I"
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"chemical_system": "Al-I-K-Rb",
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"formula_full": "K2 Rb1 Al1 I6",
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{
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"created_at": "2022-09-04T14:36:37.333597Z",
"updated_at": "2022-09-04T14:36:37.333621Z",
"structure_string": "K2 Rb1 Al1 F6\n1.0\n5.405639 0.000000 3.120947\n1.801880 5.096486 3.120947\n0.000000 0.000000 6.241895\nK Rb Al F\n2 1 1 6\ndirect\n0.750000 0.750001 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Al\n0.793060 0.206940 0.206940 F\n0.206940 0.206940 0.793060 F\n0.206940 0.793061 0.793060 F\n0.206940 0.793061 0.206940 F\n0.793060 0.206940 0.793060 F\n0.793060 0.793061 0.206940 F\n",
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"elements": [
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"formula_full": "K2 Rb1 Al1 F6",
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{
"id": "jvasp-102412",
"created_at": "2022-09-04T14:36:44.724244Z",
"updated_at": "2022-09-04T14:36:44.724261Z",
"structure_string": "K1 Rb2 Al1 F6\n1.0\n5.312682 -0.000000 3.067278\n1.770894 5.008844 3.067278\n-0.000000 -0.000000 6.134557\nK Rb Al F\n1 2 1 6\ndirect\n0.500000 0.500000 0.500001 K\n0.749999 0.749999 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Al\n0.788922 0.211077 0.211078 F\n0.211077 0.211077 0.788923 F\n0.211077 0.788922 0.788924 F\n0.211077 0.788922 0.211079 F\n0.788922 0.211077 0.788923 F\n0.788922 0.788922 0.211079 F\n",
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"density_atomic": 0.06125837425578555,
"volume": 163.24298712605076,
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"formula_full": "K1 Rb2 Al1 F6",
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{
"id": "jvasp-105081",
"created_at": "2022-09-04T14:36:52.634571Z",
"updated_at": "2022-09-04T14:36:52.634582Z",
"structure_string": "K1 Rb2 Al1 Cl6\n1.0\n6.406107 -0.000000 3.698568\n2.135369 6.039735 3.698568\n-0.000000 -0.000000 7.397135\nK Rb Al Cl\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750001 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Al\n0.777061 0.222939 0.222939 Cl\n0.222939 0.222939 0.777062 Cl\n0.222939 0.777062 0.777062 Cl\n0.222939 0.777062 0.222939 Cl\n0.777061 0.222939 0.777062 Cl\n0.777061 0.777062 0.222939 Cl\n",
"nsites": 10,
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"formula_full": "K1 Rb2 Al1 Cl6",
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{
"id": "jvasp-106903",
"created_at": "2022-09-04T14:36:46.639658Z",
"updated_at": "2022-09-04T14:36:46.639681Z",
"structure_string": "K2 Rb1 Al1 Cl6\n1.0\n6.513856 -0.000000 3.760777\n2.171285 6.141323 3.760777\n-0.000000 -0.000000 7.521554\nK Rb Al Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Al\n0.781258 0.218742 0.218742 Cl\n0.218743 0.218742 0.781258 Cl\n0.218743 0.781257 0.781258 Cl\n0.218743 0.781257 0.218742 Cl\n0.781258 0.218742 0.781258 Cl\n0.781259 0.781257 0.218742 Cl\n",
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{
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"created_at": "2022-09-04T14:36:47.187522Z",
"updated_at": "2022-09-04T14:36:47.187546Z",
"structure_string": "K1 Rb2 Al1 Br6\n1.0\n6.797185 -0.000000 3.924357\n2.265728 6.408448 3.924357\n-0.000000 -0.000000 7.848714\nK Rb Al Br\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750001 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Al\n0.773763 0.226238 0.226238 Br\n0.226238 0.226238 0.773762 Br\n0.226238 0.773762 0.773762 Br\n0.226238 0.773762 0.226238 Br\n0.773763 0.226238 0.773762 Br\n0.773763 0.773762 0.226238 Br\n",
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{
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"created_at": "2022-09-04T14:36:49.042566Z",
"updated_at": "2022-09-04T14:36:49.042599Z",
"structure_string": "K2 Pr2 Si2 Se8\n1.0\n0.000000 6.818563 0.001438\n6.997282 0.000000 0.000000\n0.000000 -2.753278 -8.476168\nK Pr Si Se\n2 2 2 8\ndirect\n0.766531 0.294274 0.065510 K\n0.233469 0.794274 0.934490 K\n0.729412 0.302787 0.552285 Pr\n0.270588 0.802787 0.447716 Pr\n0.714370 0.773456 0.312932 Si\n0.285630 0.273456 0.687068 Si\n0.527396 0.033359 0.737083 Se\n0.089219 0.271487 0.850337 Se\n0.910780 0.771487 0.149663 Se\n0.487548 0.542654 0.723367 Se\n0.512451 0.042654 0.276633 Se\n0.091533 0.229972 0.428020 Se\n0.908466 0.729972 0.571981 Se\n0.472603 0.533359 0.262918 Se\n",
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{
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"structure_string": "K2 Pr2 Pd2 O6\n1.0\n3.974641 0.000000 0.000000\n-1.987320 6.472343 -1.747191\n0.000000 -0.004180 7.426466\nK Pr Pd O\n2 2 2 6\ndirect\n0.643722 0.287444 0.565306 K\n0.356278 0.712556 0.434694 K\n0.350397 0.700793 0.919142 Pr\n0.649603 0.299206 0.080858 Pr\n0.993717 0.987433 0.231580 Pd\n0.006283 0.012566 0.768421 Pd\n0.167466 0.334932 0.863077 O\n0.152138 0.304277 0.285849 O\n0.506449 0.012898 0.804061 O\n0.847861 0.695723 0.714151 O\n0.832534 0.665068 0.136923 O\n0.493550 0.987102 0.195940 O\n",
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{
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"structure_string": "K2 Pr2 Ge2 Se8\n1.0\n0.000000 6.915940 -0.000301\n7.071308 0.000000 0.000000\n0.000000 -2.755940 -8.482077\nK Pr Ge Se\n2 2 2 8\ndirect\n0.254933 0.495468 0.062229 K\n0.745067 0.995469 0.937771 K\n0.230644 0.498494 0.554135 Pr\n0.769356 -0.001506 0.445866 Pr\n0.217628 0.968122 0.315143 Ge\n0.782372 0.468122 0.684857 Ge\n0.009018 0.243814 0.278971 Se\n0.965115 0.724395 0.264921 Se\n0.582323 0.462525 0.855304 Se\n0.417677 0.962525 0.144696 Se\n0.423678 0.910483 0.580654 Se\n0.576322 0.410483 0.419346 Se\n0.034885 0.224395 0.735079 Se\n0.990983 0.743814 0.721030 Se\n",
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}
]
}