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"structure_string": "K2 Na1 Sc1 Br6\n1.0\n6.664718 -0.000000 3.847877\n2.221573 6.283556 3.847877\n-0.000000 -0.000000 7.695753\nK Na Sc Br\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 Na\n0.000000 0.000000 0.000000 Sc\n0.758060 0.241940 0.241940 Br\n0.241940 0.241940 0.758060 Br\n0.241940 0.758060 0.758060 Br\n0.241940 0.758060 0.241941 Br\n0.758060 0.241940 0.758060 Br\n0.758059 0.758060 0.241941 Br\n",
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{
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"structure_string": "Rb2 Tl1 As1 Cl6\n1.0\n6.664411 -0.000000 3.847700\n2.221470 6.283267 3.847700\n-0.000000 -0.000000 7.695399\nRb Tl As Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 As\n0.769841 0.230159 0.230159 Cl\n0.230159 0.230159 0.769841 Cl\n0.230159 0.769841 0.769841 Cl\n0.230159 0.769841 0.230159 Cl\n0.769841 0.230159 0.769841 Cl\n0.769841 0.769841 0.230159 Cl\n",
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"volume": 322.2392440393319,
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"formula_full": "Rb2 Tl1 As1 Cl6",
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{
"id": "jvasp-106898",
"created_at": "2022-09-04T14:36:51.876954Z",
"updated_at": "2022-09-04T14:36:51.876974Z",
"structure_string": "Na2 Ga1 Hg1 Br6\n1.0\n6.664411 -0.000000 3.847699\n2.221470 6.283267 3.847699\n-0.000000 -0.000000 7.695399\nNa Ga Hg Br\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 Ga\n0.500000 0.500000 0.500000 Hg\n0.761100 0.238900 0.238900 Br\n0.238900 0.238900 0.761100 Br\n0.238900 0.761101 0.761100 Br\n0.238900 0.761101 0.238900 Br\n0.761100 0.238900 0.761100 Br\n0.761100 0.761101 0.238900 Br\n",
"nsites": 10,
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"formula_full": "Na2 Ga1 Hg1 Br6",
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{
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"created_at": "2022-09-04T14:36:03.426986Z",
"updated_at": "2022-09-04T14:36:03.427012Z",
"structure_string": "Sr2 In1 Hg1\n1.0\n4.910243 0.000000 2.834930\n1.636747 4.629421 2.834930\n-0.000000 -0.000000 5.669859\nSr In Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Hg\n",
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{
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"created_at": "2022-09-04T14:38:52.952865Z",
"updated_at": "2022-09-04T14:38:52.952891Z",
"structure_string": "Pr1 Se2\n1.0\n2.257058 -3.821598 -0.602763\n2.181073 3.777728 -0.000000\n-0.726092 0.419209 5.863086\nPr Se\n1 2\ndirect\n-0.000000 0.333357 0.166667 Pr\n0.766020 0.716331 0.435376 Se\n0.233981 -0.049688 0.897959 Se\n",
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{
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"created_at": "2022-09-04T14:38:31.315313Z",
"updated_at": "2022-09-04T14:38:31.315346Z",
"structure_string": "Th2 In4 Br12\n1.0\n8.538159 -0.066508 -0.046516\n-4.086103 7.497223 -0.046516\n0.045737 0.076337 9.095279\nTh In Br\n2 4 12\ndirect\n0.055606 0.944394 0.250000 Th\n0.944395 0.055606 0.750000 Th\n0.313166 0.624585 0.495985 In\n0.624586 0.313166 0.995985 In\n0.686835 0.375415 0.504015 In\n0.375415 0.686834 0.004015 In\n0.160392 0.932680 0.942415 Br\n0.575655 0.004523 0.714403 Br\n0.995477 0.424346 0.785596 Br\n0.424346 0.995477 0.285596 Br\n0.839608 0.067320 0.057585 Br\n0.932680 0.160392 0.442415 Br\n0.067320 0.839608 0.557585 Br\n0.004523 0.575654 0.214403 Br\n0.295801 0.323603 0.194227 Br\n0.704200 0.676397 0.805772 Br\n0.323603 0.295801 0.694227 Br\n0.676398 0.704199 0.305772 Br\n",
"nsites": 18,
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"elements": [
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{
"id": "jvasp-74210",
"created_at": "2022-09-04T14:36:06.722103Z",
"updated_at": "2022-09-04T14:36:06.722122Z",
"structure_string": "Sr1 Ca2 Be1\n1.0\n4.869770 0.000000 0.000000\n0.000000 4.869770 0.000000\n0.000000 0.000000 5.433003\nSr Ca Be\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.500000 0.000000 Ca\n0.500000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 Be\n",
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{
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"created_at": "2022-09-04T14:37:48.881578Z",
"updated_at": "2022-09-04T14:37:48.881598Z",
"structure_string": "Sr1 Al1 Ga1\n1.0\n4.460731 -0.000001 2.575403\n1.486904 4.205621 2.575412\n-0.000003 0.000008 5.150811\nSr Al Ga\n1 1 1\ndirect\n0.250000 0.250000 0.249999 Sr\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.499999 Ga\n",
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{
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"created_at": "2022-09-04T14:36:18.821562Z",
"updated_at": "2022-09-04T14:36:18.821588Z",
"structure_string": "Rb2 Li1 Y1 Br6\n1.0\n6.663139 0.000000 3.846965\n2.221046 6.282068 3.846965\n0.000000 0.000000 7.693930\nRb Li Y Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.499999 Li\n0.000000 0.000000 0.000000 Y\n0.745849 0.254152 0.254151 Br\n0.254152 0.254152 0.745848 Br\n0.254152 0.745849 0.745847 Br\n0.254152 0.745849 0.254151 Br\n0.745849 0.254152 0.745847 Br\n0.745849 0.745849 0.254150 Br\n",
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{
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"created_at": "2022-09-04T14:35:49.108224Z",
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"structure_string": "Ba1 Na1 Hg2\n1.0\n5.595588 0.000000 0.000000\n0.000000 5.595588 -0.000000\n0.000000 -0.000000 4.114227\nBa Na Hg\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.500000 0.500000 0.500000 Na\n0.500000 0.000000 0.000000 Hg\n0.000000 0.500000 0.000000 Hg\n",
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{
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"created_at": "2022-09-04T14:36:19.912701Z",
"updated_at": "2022-09-04T14:36:19.912721Z",
"structure_string": "K4 Sn2 Br12\n1.0\n5.117739 5.119276 -0.000071\n-5.119177 5.118194 0.000020\n0.000104 0.000063 11.060405\nK Sn Br\n4 2 12\ndirect\n0.500075 0.499926 -0.000011 K\n0.000012 0.000015 0.000001 K\n0.500012 0.499975 0.499993 K\n-0.000013 0.000034 0.500020 K\n0.499969 -0.000041 0.249972 Sn\n0.000012 0.500047 0.750026 Sn\n0.198775 0.805623 0.750004 Br\n0.801234 0.194478 0.750048 Br\n0.694414 0.698810 0.750015 Br\n0.301189 0.305551 0.249962 Br\n0.305613 0.301269 0.750017 Br\n0.499971 0.999932 0.008881 Br\n0.000037 0.500055 0.991121 Br\n0.805554 0.198736 0.249964 Br\n0.000006 0.500011 0.508927 Br\n0.499996 0.999992 0.491070 Br\n0.698755 0.694377 0.249983 Br\n0.194383 0.801213 0.250005 Br\n",
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