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{
"id": "jvasp-99591",
"created_at": "2022-09-04T14:36:34.652235Z",
"updated_at": "2022-09-04T14:36:34.652257Z",
"structure_string": "K2 Rb1 Bi1 F6\n1.0\n5.960051 -0.000000 3.441037\n1.986684 5.619190 3.441037\n-0.000000 -0.000000 6.882074\nK Rb Bi F\n2 1 1 6\ndirect\n0.749999 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 Bi\n0.767729 0.232270 0.232271 F\n0.232270 0.232270 0.767730 F\n0.232270 0.767730 0.767730 F\n0.232270 0.767730 0.232271 F\n0.767729 0.232270 0.767730 F\n0.767729 0.767730 0.232271 F\n",
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{
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"structure_string": "Rb2 Br2 F8\n1.0\n6.289948 -0.000000 -3.043027\n-1.472192 6.115234 -3.043027\n-0.615804 -0.781648 6.749317\nRb Br F\n2 2 8\ndirect\n0.500000 0.500000 -0.000001 Rb\n0.000000 0.000000 0.000000 Rb\n0.500000 -0.000000 -0.000000 Br\n0.000000 0.500000 -0.000000 Br\n0.992069 0.492068 0.276500 F\n0.715570 0.215569 0.723499 F\n0.007932 0.507931 0.723499 F\n0.215570 0.007931 0.723500 F\n0.284431 0.784430 0.276500 F\n0.492069 0.284431 0.276500 F\n0.784431 0.992068 0.276500 F\n0.507932 0.715568 0.723499 F\n",
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{
"id": "jvasp-2679",
"created_at": "2022-09-04T14:36:39.719934Z",
"updated_at": "2022-09-04T14:36:39.719964Z",
"structure_string": "Ca1 Pd1 F6\n1.0\n4.627286 0.027968 3.408276\n1.738001 4.288579 3.408276\n0.041244 0.027969 5.746862\nCa Pd F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Pd\n0.389616 0.059172 0.782424 F\n0.059171 0.782424 0.389617 F\n0.217575 0.610384 0.940829 F\n0.940828 0.217577 0.610384 F\n0.610384 0.940829 0.217577 F\n0.782424 0.389617 0.059172 F\n",
"nsites": 8,
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"elements": [
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],
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"volume": 112.88980892740128,
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"formula_full": "Ca1 Pd1 F6",
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"spacegroup": 148
},
{
"id": "jvasp-69263",
"created_at": "2022-09-04T14:36:19.194272Z",
"updated_at": "2022-09-04T14:36:19.194297Z",
"structure_string": "Ba1 Li1 Hg2\n1.0\n5.456563 0.000000 0.000000\n0.000000 5.456563 0.000000\n0.000000 0.000000 4.077712\nBa Li Hg\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.500000 0.500000 0.500000 Li\n0.500000 0.000000 0.000000 Hg\n0.000000 0.500000 0.000000 Hg\n",
"nsites": 4,
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"elements": [
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],
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"density": 7.460149903893517,
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"volume": 121.41012237919297,
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"formula_full": "Ba1 Li1 Hg2",
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},
{
"id": "jvasp-101508",
"created_at": "2022-09-04T14:36:39.722580Z",
"updated_at": "2022-09-04T14:36:39.722607Z",
"structure_string": "Na3 Ga1 Br6\n1.0\n6.536070 0.000000 3.773602\n2.178690 6.162266 3.773602\n-0.000000 -0.000000 7.547204\nNa Ga Br\n3 1 6\ndirect\n0.750000 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.499999 Na\n0.000000 0.000000 0.000000 Ga\n0.761873 0.238127 0.238127 Br\n0.238127 0.238127 0.761872 Br\n0.238127 0.761873 0.761872 Br\n0.238127 0.761873 0.238127 Br\n0.761873 0.238127 0.761872 Br\n0.761873 0.761873 0.238126 Br\n",
"nsites": 10,
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],
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"formula_full": "Na3 Ga1 Br6",
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{
"id": "jvasp-92847",
"created_at": "2022-09-04T14:36:15.823154Z",
"updated_at": "2022-09-04T14:36:15.823178Z",
"structure_string": "Ba1 Mg6 Cr1\n1.0\n7.648166 0.813731 0.000000\n-3.119370 5.402907 0.000000\n0.000000 0.000000 5.031491\nBa Mg Cr\n1 6 1\ndirect\n0.085588 0.292794 0.250000 Ba\n0.621783 0.322449 0.250000 Mg\n0.621783 0.799332 0.250000 Mg\n0.356354 0.174247 0.750000 Mg\n0.356354 0.682108 0.750000 Mg\n0.740576 0.120288 0.750000 Mg\n0.937765 0.718882 0.750000 Mg\n0.279801 0.889901 0.250000 Cr\n",
"nsites": 8,
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},
{
"id": "jvasp-3957",
"created_at": "2022-09-04T14:36:35.865016Z",
"updated_at": "2022-09-04T14:36:35.865027Z",
"structure_string": "Rb2 Pt1 I6\n1.0\n6.868405 0.000000 3.965475\n2.289468 6.475594 3.965475\n0.000000 0.000000 7.930950\nRb Pt I\n2 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Pt\n0.758419 0.241581 0.241581 I\n0.241581 0.758419 0.758419 I\n0.758419 0.241581 0.758419 I\n0.241581 0.758419 0.241580 I\n0.758419 0.758419 0.241580 I\n0.241581 0.241581 0.758419 I\n",
"nsites": 9,
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"elements": [
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],
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"density": 5.307430181312189,
"density_atomic": 0.025514190264670642,
"volume": 352.74488065812733,
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"formula_full": "Rb2 Pt1 I6",
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"formula_anonymous": "AB2C6",
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"spacegroup": 225
},
{
"id": "jvasp-100881",
"created_at": "2022-09-04T14:36:38.169396Z",
"updated_at": "2022-09-04T14:36:38.169417Z",
"structure_string": "K2 Na1 Ga1 Cl6\n1.0\n6.168198 -0.000000 3.561211\n2.056066 5.815433 3.561211\n-0.000000 -0.000000 7.122421\nK Na Ga Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ga\n0.764030 0.235971 0.235970 Cl\n0.235971 0.235971 0.764029 Cl\n0.235971 0.764029 0.764029 Cl\n0.235971 0.764029 0.235970 Cl\n0.764030 0.235971 0.764029 Cl\n0.764030 0.764029 0.235970 Cl\n",
"nsites": 10,
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"elements": [
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"Cl"
],
"chemical_system": "Cl-Ga-K-Na",
"density": 2.4933926648409557,
"density_atomic": 0.03914100714710298,
"volume": 255.4865275289716,
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"formula_full": "K2 Na1 Ga1 Cl6",
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"formula_anonymous": "ABC2D6",
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},
{
"id": "jvasp-102267",
"created_at": "2022-09-04T14:36:30.853018Z",
"updated_at": "2022-09-04T14:36:30.853147Z",
"structure_string": "Rb2 Tl1 Rh1 F6\n1.0\n5.579170 -0.000000 3.221135\n1.859723 5.260092 3.221135\n-0.000000 -0.000000 6.442270\nRb Tl Rh F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750001 Rb\n0.500000 0.500000 0.500001 Tl\n0.000000 0.000000 0.000000 Rh\n0.219826 0.219826 0.780175 F\n0.219825 0.780174 0.780175 F\n0.780174 0.780174 0.219827 F\n0.219825 0.780174 0.219827 F\n0.780174 0.219826 0.780175 F\n0.780174 0.219826 0.219827 F\n",
"nsites": 10,
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"elements": [
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"density_atomic": 0.05289299299847168,
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{
"id": "jvasp-102649",
"created_at": "2022-09-04T14:36:39.739368Z",
"updated_at": "2022-09-04T14:36:39.739392Z",
"structure_string": "Yb2 Ag1 Pd1\n1.0\n3.499842 -0.000000 0.000000\n0.000000 3.499842 0.000000\n-0.000000 0.000000 7.083992\nYb Ag Pd\n2 1 1\ndirect\n0.500000 0.500000 0.265815 Yb\n0.500000 0.500000 0.734185 Yb\n0.000000 0.000000 0.000000 Ag\n0.000000 0.000000 0.500000 Pd\n",
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},
{
"id": "jvasp-102900",
"created_at": "2022-09-04T14:36:37.787349Z",
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"structure_string": "Rb2 Tl1 In1 Br6\n1.0\n7.056454 0.000000 4.074045\n2.352151 6.652889 4.074045\n0.000000 0.000000 8.148091\nRb Tl In Br\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500001 Tl\n0.000000 0.000000 0.000000 In\n0.766447 0.233553 0.233554 Br\n0.233553 0.233553 0.766447 Br\n0.233553 0.766447 0.766448 Br\n0.233553 0.766447 0.233554 Br\n0.766447 0.233553 0.766448 Br\n0.766446 0.766447 0.233554 Br\n",
"nsites": 10,
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{
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"created_at": "2022-09-04T14:36:34.747558Z",
"updated_at": "2022-09-04T14:36:34.747581Z",
"structure_string": "K3 Nd1 I6\n1.0\n7.756018 -0.000000 4.477940\n2.585339 7.312444 4.477940\n-0.000000 -0.000000 8.955878\nK Nd I\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 Nd\n0.757048 0.242952 0.242952 I\n0.242953 0.242952 0.757048 I\n0.242953 0.757047 0.757048 I\n0.242953 0.757047 0.242953 I\n0.757048 0.242952 0.757048 I\n0.757048 0.757047 0.242953 I\n",
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}