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{
"id": "jvasp-4077",
"created_at": "2022-09-04T14:36:42.704844Z",
"updated_at": "2022-09-04T14:36:42.704876Z",
"structure_string": "K4 Hg1 As2\n1.0\n5.512640 0.031386 8.217608\n2.524229 4.900862 8.217608\n0.051142 0.031386 9.895235\nK Hg As\n4 1 2\ndirect\n0.207540 0.207540 0.207540 K\n0.792460 0.792461 0.792460 K\n0.387920 0.387921 0.387920 K\n0.612079 0.612080 0.612079 K\n0.000000 0.000000 0.000000 Hg\n0.909822 0.909824 0.909823 As\n0.090177 0.090177 0.090177 As\n",
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{
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"structure_string": "Sr1 In3 Hg1\n1.0\n4.546538 0.077872 -5.597709\n-0.512962 4.518179 -5.597709\n-0.068342 -0.077872 7.211150\nSr In Hg\n1 3 1\ndirect\n0.008022 0.008022 0.000000 Sr\n0.747725 0.247725 0.500000 In\n0.247725 0.747725 0.500001 In\n0.389237 0.389237 0.000000 In\n0.607294 0.607293 0.000000 Hg\n",
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{
"id": "jvasp-100895",
"created_at": "2022-09-04T14:36:41.979147Z",
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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",
"nsites": 10,
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"formula_full": "K2 Na1 Sc1 Br6",
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{
"id": "jvasp-104804",
"created_at": "2022-09-04T14:36:54.448720Z",
"updated_at": "2022-09-04T14:36:54.448741Z",
"structure_string": "K2 Tl1 Au1 F6\n1.0\n5.569962 -0.000000 3.215819\n1.856654 5.251411 3.215819\n-0.000000 -0.000000 6.431638\nK Tl Au F\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.499999 0.500000 0.500001 Tl\n0.000000 0.000000 0.000000 Au\n0.748332 0.251668 0.251668 F\n0.251668 0.251668 0.748333 F\n0.251667 0.748332 0.748333 F\n0.251667 0.748332 0.251668 F\n0.748332 0.251668 0.748333 F\n0.748331 0.748332 0.251669 F\n",
"nsites": 10,
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"elements": [
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"chemical_system": "Au-F-K-Tl",
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"density_atomic": 0.05315573965618608,
"volume": 188.1264387379517,
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"formula_full": "K2 Tl1 Au1 F6",
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{
"id": "jvasp-101018",
"created_at": "2022-09-04T14:36:42.736308Z",
"updated_at": "2022-09-04T14:36:42.736327Z",
"structure_string": "Sr2 Mg1 In1\n1.0\n4.988917 -0.000000 2.880352\n1.662972 4.703596 2.880352\n-0.000000 -0.000000 5.760705\nSr Mg In\n2 1 1\ndirect\n0.250000 0.250000 0.249999 Sr\n0.750000 0.750001 0.749998 Sr\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.499999 In\n",
"nsites": 4,
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"elements": [
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],
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{
"id": "jvasp-100868",
"created_at": "2022-09-04T14:36:42.822130Z",
"updated_at": "2022-09-04T14:36:42.822151Z",
"structure_string": "Sm2 I6\n1.0\n10.491415 0.000000 0.000000\n-5.245708 9.085832 0.000000\n-0.000000 -0.000000 4.071583\nSm I\n2 6\ndirect\n0.333333 0.666667 0.749999 Sm\n0.666667 0.333333 0.250000 Sm\n0.204523 0.409046 0.250000 I\n0.590954 0.795477 0.250000 I\n0.204523 0.795477 0.250000 I\n0.795477 0.590953 0.749999 I\n0.409047 0.204523 0.749999 I\n0.795477 0.204523 0.749999 I\n",
"nsites": 8,
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"elements": [
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"density": 4.544348082793849,
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{
"id": "jvasp-107140",
"created_at": "2022-09-04T14:36:54.475061Z",
"updated_at": "2022-09-04T14:36:54.475086Z",
"structure_string": "Rb3 Bi1 Br6\n1.0\n7.360010 -0.000000 4.249304\n2.453337 6.939084 4.249304\n-0.000000 -0.000000 8.498607\nRb Bi Br\n3 1 6\ndirect\n0.750001 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Bi\n0.762851 0.237149 0.237149 Br\n0.237149 0.237149 0.762851 Br\n0.237150 0.762850 0.762851 Br\n0.237150 0.762850 0.237149 Br\n0.762851 0.237149 0.762851 Br\n0.762851 0.762850 0.237149 Br\n",
"nsites": 10,
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"volume": 434.03854194555026,
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"formula_full": "Rb3 Bi1 Br6",
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"formula_anonymous": "AB3C6",
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"spacegroup": 225
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{
"id": "jvasp-103167",
"created_at": "2022-09-04T14:36:44.796979Z",
"updated_at": "2022-09-04T14:36:44.797000Z",
"structure_string": "K2 Rb1 Rh1 F6\n1.0\n5.573229 -0.000000 3.217705\n1.857743 5.254490 3.217705\n-0.000000 -0.000000 6.435411\nK Rb Rh 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 Rb\n0.000000 0.000000 0.000000 Rh\n0.781355 0.218645 0.218645 F\n0.218645 0.218645 0.781356 F\n0.218644 0.781355 0.781356 F\n0.218644 0.781355 0.218646 F\n0.781355 0.218645 0.781356 F\n0.781355 0.781355 0.218646 F\n",
"nsites": 10,
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"density_atomic": 0.05306232232177075,
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"formula_full": "K2 Rb1 Rh1 F6",
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"formula_anonymous": "ABC2D6",
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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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{
"id": "jvasp-100237",
"created_at": "2022-09-04T14:36:44.236634Z",
"updated_at": "2022-09-04T14:36:44.236659Z",
"structure_string": "Tb1 Ho1 Hg2\n1.0\n4.522960 0.000000 2.611332\n1.507653 4.264288 2.611332\n0.000000 0.000000 5.222664\nTb Ho Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.499999 Ho\n0.250000 0.250000 0.250000 Hg\n0.749999 0.750000 0.749999 Hg\n",
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],
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{
"id": "jvasp-101626",
"created_at": "2022-09-04T14:36:44.816004Z",
"updated_at": "2022-09-04T14:36:44.816029Z",
"structure_string": "Yb2 Zn1 Hg1\n1.0\n4.450743 -0.000000 2.569638\n1.483581 4.196201 2.569638\n-0.000000 -0.000000 5.139276\nYb Zn Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250001 Yb\n0.749999 0.750000 0.750002 Yb\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500001 Hg\n",
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{
"id": "jvasp-107112",
"created_at": "2022-09-04T14:36:48.693055Z",
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"structure_string": "K2 Al1 In1 I6\n1.0\n7.312754 -0.000000 4.222020\n2.437585 6.894531 4.222020\n-0.000000 -0.000000 8.444041\nK Al In I\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Al\n0.499999 0.500000 0.500000 In\n0.767428 0.232571 0.232572 I\n0.232571 0.232571 0.767429 I\n0.232571 0.767429 0.767429 I\n0.232571 0.767429 0.232572 I\n0.767428 0.232571 0.767429 I\n0.767428 0.767429 0.232572 I\n",
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