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{
"id": "jvasp-64381",
"created_at": "2022-09-04T14:35:53.359989Z",
"updated_at": "2022-09-04T14:35:53.360017Z",
"structure_string": "Ba4 Sn1 Hg1\n1.0\n-0.000000 5.014989 5.014989\n5.014989 0.000000 5.014989\n5.014989 5.014989 -0.000000\nBa Sn Hg\n4 1 1\ndirect\n0.122177 0.625941 0.625941 Ba\n0.625941 0.625941 0.625941 Ba\n0.625941 0.122177 0.625941 Ba\n0.625941 0.625941 0.122177 Ba\n0.000000 0.000000 0.000000 Sn\n0.250000 0.250000 0.250000 Hg\n",
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{
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"structure_string": "Rb4 Fe2 I8\n1.0\n0.000000 7.562748 0.073669\n8.011846 0.000000 0.000000\n0.000000 -3.399544 -9.748732\nRb Fe I\n4 2 8\ndirect\n0.800957 0.258051 0.962630 Rb\n0.702613 0.258302 0.412254 Rb\n0.297387 0.758302 0.587746 Rb\n0.199044 0.758051 0.037369 Rb\n0.198215 0.255085 0.785792 Fe\n0.801786 0.755085 0.214208 Fe\n0.367730 0.252757 0.055059 I\n0.417845 0.254163 0.637728 I\n0.973375 0.512612 0.720982 I\n0.632271 0.752757 0.944940 I\n0.030800 0.500331 0.280418 I\n0.582155 0.754164 0.362272 I\n0.026626 0.012612 0.279017 I\n0.969201 0.000331 0.719582 I\n",
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{
"id": "jvasp-86781",
"created_at": "2022-09-04T14:35:50.966264Z",
"updated_at": "2022-09-04T14:35:50.966279Z",
"structure_string": "Rb4 Fe2 I8\n1.0\n7.109104 0.000000 -2.586618\n0.000000 8.012516 0.000000\n0.039306 0.000000 10.325033\nRb Fe I\n4 2 8\ndirect\n0.199243 0.743885 0.037459 Rb\n0.297364 0.743859 0.587660 Rb\n0.702636 0.243858 0.412339 Rb\n0.800757 0.243884 0.962541 Rb\n0.801823 0.744139 0.214131 Fe\n0.198177 0.244139 0.785868 Fe\n0.632258 0.744464 0.944896 I\n0.582323 0.744300 0.362297 I\n0.028471 0.487893 0.279584 I\n0.367742 0.244464 0.055103 I\n0.971115 0.500163 0.720285 I\n0.417677 0.244299 0.637703 I\n0.971529 0.987893 0.720416 I\n0.028885 0.000163 0.279715 I\n",
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"density_atomic": 0.023771231401834316,
"volume": 588.9471926523623,
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"spacegroup": 11
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{
"id": "jvasp-86179",
"created_at": "2022-09-04T14:36:20.184572Z",
"updated_at": "2022-09-04T14:36:20.184582Z",
"structure_string": "Rb4 Fe2 I8\n1.0\n7.108478 0.000000 -2.587085\n0.000000 8.012385 0.000000\n0.039114 0.000000 10.326381\nRb Fe I\n4 2 8\ndirect\n0.198949 0.744541 0.037342 Rb\n0.297531 0.744596 0.587804 Rb\n0.702468 0.244596 0.412196 Rb\n0.801050 0.244541 0.962658 Rb\n0.801817 0.743867 0.214277 Fe\n0.198183 0.243867 0.785723 Fe\n0.632296 0.743586 0.945056 I\n0.582124 0.743757 0.362247 I\n0.029149 0.488053 0.279924 I\n0.367704 0.243586 0.054944 I\n0.971721 0.500298 0.720372 I\n0.417875 0.243757 0.637753 I\n0.970851 0.988053 0.720076 I\n0.028279 0.000298 0.279629 I\n",
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{
"id": "jvasp-52555",
"created_at": "2022-09-04T14:36:10.811044Z",
"updated_at": "2022-09-04T14:36:10.811073Z",
"structure_string": "Sr3 Ca6 I18\n1.0\n13.628171 -0.000000 -0.000000\n-6.814085 11.802130 0.000124\n-0.000000 0.000069 7.062544\nSr Ca I\n3 6 18\ndirect\n0.333327 0.666664 0.495995 Sr\n-0.000001 -0.000000 -0.000000 Sr\n0.666663 0.333336 0.504004 Sr\n0.676131 0.676133 0.500001 Ca\n0.323859 0.000000 0.500000 Ca\n0.657520 0.000000 0.000000 Ca\n-0.000002 0.323867 0.499998 Ca\n-0.000002 0.657527 0.000000 Ca\n0.342471 0.342473 -0.000001 Ca\n0.771523 0.897116 0.742874 I\n0.785870 0.224037 0.761264 I\n0.897110 0.771527 0.257122 I\n0.775958 0.561836 0.761257 I\n0.542469 0.105304 0.246226 I\n0.562829 0.457527 0.246229 I\n0.438163 0.214124 0.761260 I\n0.457525 0.562836 0.753778 I\n0.214121 0.438164 0.238742 I\n0.561833 0.775963 0.238735 I\n0.125583 0.228473 0.742877 I\n0.894689 0.437164 0.246221 I\n0.437166 0.894696 0.753772 I\n0.105302 0.542473 0.753769 I\n0.224038 0.785876 0.238739 I\n0.102882 0.874412 0.742877 I\n0.228469 0.125588 0.257122 I\n0.874407 0.102884 0.257125 I\n",
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{
"id": "jvasp-110354",
"created_at": "2022-09-04T14:38:37.278079Z",
"updated_at": "2022-09-04T14:38:37.278101Z",
"structure_string": "K2 Tl1 Ag1 I6\n1.0\n7.284119 -0.000000 4.205488\n2.428040 6.867533 4.205488\n-0.000000 -0.000000 8.410976\nK Tl Ag I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Ag\n0.743151 0.256849 0.256850 I\n0.256849 0.256849 0.743151 I\n0.256850 0.743150 0.743151 I\n0.256850 0.743150 0.256850 I\n0.743151 0.256849 0.743151 I\n0.743151 0.743150 0.256850 I\n",
"nsites": 10,
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"density": 4.546008452897118,
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"volume": 420.75005454021687,
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"formula_full": "K2 Tl1 Ag1 I6",
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"spacegroup": 225
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{
"id": "jvasp-64376",
"created_at": "2022-09-04T14:35:43.572786Z",
"updated_at": "2022-09-04T14:35:43.572814Z",
"structure_string": "Ba4 Mg1 V1\n1.0\n0.000000 5.016863 5.016863\n5.016863 0.000000 5.016863\n5.016863 5.016863 -0.000000\nBa Mg V\n4 1 1\ndirect\n0.123244 0.625585 0.625585 Ba\n0.625585 0.625585 0.625585 Ba\n0.625585 0.123244 0.625585 Ba\n0.625585 0.625585 0.123244 Ba\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 V\n",
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{
"id": "jvasp-100276",
"created_at": "2022-09-04T14:36:38.868791Z",
"updated_at": "2022-09-04T14:36:38.868818Z",
"structure_string": "K5 Bi4\n1.0\n6.458410 -0.019132 2.295159\n4.065480 5.018296 2.295159\n-0.031931 -0.015168 11.648083\nK Bi\n5 4\ndirect\n0.907225 0.907226 0.386809 K\n0.092775 0.092775 0.613191 K\n0.246213 0.246213 0.166322 K\n0.753787 0.753787 0.833678 K\n0.000000 0.000000 0.000000 K\n0.614266 0.614266 0.391721 Bi\n0.385734 0.385734 0.608279 Bi\n0.547150 0.547151 0.167741 Bi\n0.452849 0.452850 0.832259 Bi\n",
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{
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"structure_string": "Rb2 Pr1 Cu1 I6\n1.0\n7.285845 -0.000000 4.206485\n2.428615 6.869161 4.206485\n-0.000000 -0.000000 8.412969\nRb Pr Cu I\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500001 0.500000 0.499999 Pr\n0.000000 0.000000 0.000000 Cu\n0.760810 0.239191 0.239190 I\n0.239191 0.239191 0.760809 I\n0.239192 0.760809 0.760808 I\n0.239192 0.760809 0.239190 I\n0.760810 0.239191 0.760808 I\n0.760810 0.760809 0.239190 I\n",
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{
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"structure_string": "Ba4 Ca1 Pt1\n1.0\n-0.000000 5.017482 5.017482\n5.017482 -0.000000 5.017482\n5.017482 5.017482 0.000000\nBa Ca Pt\n4 1 1\ndirect\n0.118204 0.627266 0.627266 Ba\n0.627266 0.627266 0.627266 Ba\n0.627266 0.118204 0.627266 Ba\n0.627266 0.627266 0.118204 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Pt\n",
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{
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"created_at": "2022-09-04T14:38:43.391903Z",
"updated_at": "2022-09-04T14:38:43.391928Z",
"structure_string": "In2 I2\n1.0\n4.920404 0.000000 0.000000\n0.000000 4.920404 -0.000000\n-0.000000 0.000000 6.956814\nIn I\n2 2\ndirect\n0.000000 0.000000 0.249858 In\n0.499999 0.499999 0.750140 In\n0.000000 0.000000 0.749820 I\n0.499999 0.499999 0.250180 I\n",
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{
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"structure_string": "Ba4 Ca1 Rh1\n1.0\n-0.000000 5.017670 5.017670\n5.017670 -0.000000 5.017670\n5.017670 5.017670 0.000000\nBa Ca Rh\n4 1 1\ndirect\n0.372872 0.881384 0.372872 Ba\n0.372872 0.372872 0.881384 Ba\n0.372872 0.372872 0.372872 Ba\n0.881384 0.372872 0.372872 Ba\n0.750000 0.750000 0.750000 Ca\n0.000000 0.000000 0.000000 Rh\n",
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]
}