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{
"id": "jvasp-10884",
"created_at": "2022-09-04T14:37:10.720637Z",
"updated_at": "2022-09-04T14:37:10.720660Z",
"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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"structure_string": "Li3 Pd1 F6\n1.0\n4.817073 -0.000000 2.781138\n1.605691 4.541580 2.781138\n-0.000000 -0.000000 5.562277\nLi Pd F\n3 1 6\ndirect\n0.749999 0.750000 0.750001 Li\n0.250000 0.250000 0.250000 Li\n0.500000 0.500000 0.500001 Li\n0.000000 0.000000 0.000000 Pd\n0.744061 0.255938 0.255939 F\n0.255938 0.255938 0.744063 F\n0.255938 0.744062 0.744063 F\n0.255938 0.744062 0.255939 F\n0.744061 0.255938 0.744063 F\n0.744061 0.744062 0.255939 F\n",
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{
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"created_at": "2022-09-04T14:38:27.538641Z",
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"structure_string": "K2 Na1 Ga1 F6\n1.0\n5.062643 -0.000000 2.922919\n1.687548 4.773106 2.922919\n-0.000000 -0.000000 5.845837\nK Na Ga F\n2 1 1 6\ndirect\n0.750000 0.750001 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ga\n0.768104 0.231895 0.231896 F\n0.231895 0.231895 0.768105 F\n0.231895 0.768105 0.768105 F\n0.231895 0.768105 0.231895 F\n0.768104 0.231895 0.768105 F\n0.768104 0.768105 0.231896 F\n",
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"density_atomic": 0.07079048953034396,
"volume": 141.26191337769396,
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"formula_full": "K2 Na1 Ga1 F6",
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{
"id": "jvasp-108842",
"created_at": "2022-09-04T14:38:27.703641Z",
"updated_at": "2022-09-04T14:38:27.703661Z",
"structure_string": "K3 Sc1 Br6\n1.0\n6.933637 -0.000000 4.003137\n2.311212 6.537096 4.003137\n-0.000000 -0.000000 8.006274\nK Sc Br\n3 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Sc\n0.767398 0.232602 0.232602 Br\n0.232602 0.232602 0.767398 Br\n0.232601 0.767399 0.767398 Br\n0.232601 0.767399 0.232602 Br\n0.767398 0.232602 0.767398 Br\n0.767398 0.767399 0.232602 Br\n",
"nsites": 10,
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"elements": [
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"volume": 362.8911799724962,
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"formula_full": "K3 Sc1 Br6",
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{
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"created_at": "2022-09-04T14:38:27.830672Z",
"updated_at": "2022-09-04T14:38:27.830701Z",
"structure_string": "K3 Mo1 Cl6\n1.0\n6.504731 -0.000000 3.755508\n2.168244 6.132719 3.755508\n-0.000000 -0.000000 7.511016\nK Mo Cl\n3 1 6\ndirect\n0.749999 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500001 K\n0.000000 0.000000 0.000000 Mo\n0.770506 0.229493 0.229494 Cl\n0.229493 0.229493 0.770507 Cl\n0.229493 0.770507 0.770508 Cl\n0.229493 0.770507 0.229494 Cl\n0.770506 0.229493 0.770507 Cl\n0.770506 0.770507 0.229494 Cl\n",
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{
"id": "jvasp-108844",
"created_at": "2022-09-04T14:38:15.130392Z",
"updated_at": "2022-09-04T14:38:15.130419Z",
"structure_string": "K2 Rb1 Tb1 Cl6\n1.0\n6.918985 -0.000000 3.994678\n2.306328 6.523281 3.994678\n-0.000000 -0.000000 7.989355\nTb K Rb Cl\n1 2 1 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500001 Rb\n0.767427 0.232572 0.232573 Cl\n0.232572 0.232572 0.767428 Cl\n0.232572 0.767428 0.767429 Cl\n0.232572 0.767428 0.232573 Cl\n0.767427 0.232572 0.767429 Cl\n0.767428 0.767428 0.232573 Cl\n",
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{
"id": "jvasp-108845",
"created_at": "2022-09-04T14:37:59.334478Z",
"updated_at": "2022-09-04T14:37:59.334502Z",
"structure_string": "K2 Na1 Ce1 I6\n1.0\n7.516473 -0.000000 4.339638\n2.505491 7.086598 4.339638\n-0.000000 -0.000000 8.679275\nK Na Ce I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500001 Na\n0.000000 0.000000 0.000000 Ce\n0.747936 0.252064 0.252064 I\n0.252063 0.252064 0.747937 I\n0.252063 0.747937 0.747937 I\n0.252063 0.747937 0.252064 I\n0.747936 0.252064 0.747937 I\n0.747936 0.747937 0.252064 I\n",
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{
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"created_at": "2022-09-04T14:38:16.709704Z",
"updated_at": "2022-09-04T14:38:16.709734Z",
"structure_string": "Na2 Er1 Cu1 Cl6\n1.0\n6.197342 -0.000000 3.578037\n2.065781 5.842910 3.578037\n-0.000000 -0.000000 7.156075\nNa Er Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 0.500000 Cu\n0.745188 0.254811 0.254812 Cl\n0.254811 0.254811 0.745188 Cl\n0.254811 0.745188 0.745189 Cl\n0.254811 0.745188 0.254812 Cl\n0.745188 0.254811 0.745189 Cl\n0.745188 0.745188 0.254812 Cl\n",
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{
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"created_at": "2022-09-04T14:38:19.531435Z",
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"structure_string": "Na2 Ag1 Au1 Cl6\n1.0\n6.192582 -0.000000 3.575289\n2.064194 5.838422 3.575289\n-0.000000 -0.000000 7.150578\nNa Ag Au Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500001 Ag\n0.000000 0.000000 0.000000 Au\n0.751337 0.248662 0.248663 Cl\n0.248662 0.248662 0.751338 Cl\n0.248662 0.751337 0.751339 Cl\n0.248662 0.751337 0.248663 Cl\n0.751337 0.248662 0.751338 Cl\n0.751337 0.751337 0.248663 Cl\n",
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{
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"created_at": "2022-09-04T14:38:15.788469Z",
"updated_at": "2022-09-04T14:38:15.788497Z",
"structure_string": "K2 Li1 Pd1 F6\n1.0\n4.977010 -0.000000 2.873478\n1.659003 4.692370 2.873478\n-0.000000 -0.000000 5.746956\nK Li Pd F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500001 Li\n0.000000 0.000000 0.000000 Pd\n0.748469 0.251530 0.251531 F\n0.251530 0.251530 0.748470 F\n0.251530 0.748470 0.748471 F\n0.251530 0.748470 0.251531 F\n0.748469 0.251530 0.748471 F\n0.748469 0.748470 0.251531 F\n",
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{
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"created_at": "2022-09-04T14:38:09.486316Z",
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"structure_string": "K2 Tl1 Hg1 Br6\n1.0\n6.932639 -0.000000 4.002561\n2.310880 6.536154 4.002561\n-0.000000 -0.000000 8.005122\nK Tl Hg Br\n2 1 1 6\ndirect\n0.750000 0.749999 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Hg\n0.746317 0.253683 0.253683 Br\n0.253683 0.253683 0.746317 Br\n0.253683 0.746316 0.746317 Br\n0.253683 0.746316 0.253683 Br\n0.746317 0.253683 0.746317 Br\n0.746317 0.746316 0.253683 Br\n",
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"structure_string": "Rb4 Si2 S6\n1.0\n6.269881 0.000000 2.733008\n2.753423 6.538569 2.241756\n-0.014946 0.007693 8.592761\nRb Si S\n4 2 6\ndirect\n0.803775 0.579265 0.813184 Rb\n0.196224 0.420734 0.186817 Rb\n0.580416 0.200891 0.638275 Rb\n0.419583 0.799109 0.361726 Rb\n0.116369 0.947720 0.819542 Si\n0.883630 0.052280 0.180460 Si\n0.238228 -0.000000 0.000000 S\n0.761772 -0.000000 0.000000 S\n0.888469 0.827342 0.395719 S\n0.111530 0.172658 0.604282 S\n0.709877 0.357509 0.222735 S\n0.290122 0.642490 0.777266 S\n",
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}