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{
"id": "jvasp-111236",
"created_at": "2022-09-04T14:38:48.499205Z",
"updated_at": "2022-09-04T14:38:48.499228Z",
"structure_string": "Rb2 Li1 Ga1 F6\n1.0\n5.015136 -0.000000 2.895490\n1.671712 4.728315 2.895490\n-0.000000 -0.000000 5.790980\nRb Li Ga F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750001 0.750000 Rb\n0.500000 0.500001 0.500000 Li\n0.000000 0.000000 0.000000 Ga\n0.236885 0.236885 0.763115 F\n0.236884 0.763116 0.763115 F\n0.763116 0.763116 0.236884 F\n0.236884 0.763116 0.236884 F\n0.763116 0.236885 0.763115 F\n0.763116 0.236885 0.236884 F\n",
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{
"id": "jvasp-113040",
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"updated_at": "2022-09-04T14:38:46.573866Z",
"structure_string": "Ba4 Cl4 O4\n1.0\n4.196832 -0.000000 0.000000\n0.000000 7.638458 0.000000\n-0.000000 -0.000000 9.020077\nBa Cl O\n4 4 4\ndirect\n0.250000 0.775525 0.872436 Ba\n0.750000 0.224475 0.127564 Ba\n0.750000 0.724475 0.372436 Ba\n0.250000 0.275525 0.627565 Ba\n0.250000 0.541483 0.160675 Cl\n0.750000 0.458517 0.839326 Cl\n0.750000 0.958517 0.660675 Cl\n0.250000 0.041483 0.339325 Cl\n0.250000 0.602951 0.539878 O\n0.750000 0.397050 0.460123 O\n0.750000 0.897050 0.039877 O\n0.250000 0.102951 0.960123 O\n",
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{
"id": "jvasp-117792",
"created_at": "2022-09-04T14:38:48.505583Z",
"updated_at": "2022-09-04T14:38:48.505608Z",
"structure_string": "I2 Br1\n1.0\n4.349434 -1.049828 0.813130\n-0.641091 -4.245619 -0.266414\n-0.959715 -3.031680 -6.079559\nI Br\n2 1\ndirect\n0.667496 0.002745 0.375638 I\n0.359743 -0.008079 0.699898 I\n0.989746 0.004175 0.056426 Br\n",
"nsites": 3,
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"elements": [
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"density_atomic": 0.027065315240995973,
"volume": 110.84297276005434,
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"formula_full": "I2 Br1",
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"formula_anonymous": "AB2",
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"spacegroup": 1
},
{
"id": "jvasp-110672",
"created_at": "2022-09-04T14:38:38.108582Z",
"updated_at": "2022-09-04T14:38:38.108603Z",
"structure_string": "K2 Al1 Ag1 Cl6\n1.0\n6.131031 -0.000000 3.539752\n2.043677 5.780391 3.539752\n-0.000000 -0.000000 7.079504\nK Al Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.499999 Ag\n0.766796 0.233204 0.233203 Cl\n0.233204 0.233204 0.766795 Cl\n0.233204 0.766796 0.766795 Cl\n0.233204 0.766796 0.233203 Cl\n0.766796 0.233204 0.766795 Cl\n0.766797 0.766796 0.233203 Cl\n",
"nsites": 10,
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"elements": [
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"Cl"
],
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"density": 2.8178950913864216,
"density_atomic": 0.0398571682844705,
"volume": 250.8958972857158,
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"formula_full": "K2 Al1 Ag1 Cl6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
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{
"id": "jvasp-110387",
"created_at": "2022-09-04T14:38:38.691358Z",
"updated_at": "2022-09-04T14:38:38.691379Z",
"structure_string": "Rb2 Y1 Tl1 I6\n1.0\n7.691036 -0.000000 4.440422\n2.563679 7.251178 4.440422\n-0.000000 -0.000000 8.880843\nRb Y Tl I\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.499999 Tl\n0.761643 0.238357 0.238357 I\n0.238357 0.238357 0.761642 I\n0.238358 0.761643 0.761642 I\n0.238358 0.761643 0.238357 I\n0.761643 0.238357 0.761642 I\n0.761643 0.761643 0.238357 I\n",
"nsites": 10,
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"volume": 495.2763641657102,
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{
"id": "jvasp-25903",
"created_at": "2022-09-04T14:38:30.623041Z",
"updated_at": "2022-09-04T14:38:30.623069Z",
"structure_string": "K2 Ni1 F4\n1.0\n3.852811 -0.000000 -1.137308\n-0.335721 3.838156 -1.137308\n0.006182 0.006745 7.115598\nK Ni F\n2 1 4\ndirect\n0.354661 0.354662 0.709321 K\n0.645339 0.645340 0.290679 K\n0.000000 0.000000 0.000000 Ni\n0.500000 0.000000 -0.000000 F\n0.000000 0.500001 -0.000000 F\n0.155202 0.155203 0.310403 F\n0.844798 0.844800 0.689597 F\n",
"nsites": 7,
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"volume": 105.28237122346589,
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"formula_full": "K2 Ni1 F4",
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"spacegroup": 139
},
{
"id": "jvasp-120262",
"created_at": "2022-09-04T14:38:46.555691Z",
"updated_at": "2022-09-04T14:38:46.555733Z",
"structure_string": "Ge1 I3\n1.0\n7.062760 0.675178 0.351602\n-3.186152 -6.563449 -1.349973\n0.951785 2.379778 -2.927313\nGe I\n1 3\ndirect\n0.336307 0.242336 0.581535 Ge\n-0.007766 -0.002922 0.012616 I\n0.335635 0.661189 0.958417 I\n0.680448 0.341330 0.014722 I\n",
"nsites": 4,
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"elements": [
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],
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"density": 4.993623681993673,
"density_atomic": 0.026533211452696666,
"volume": 150.75446133353245,
"volume_molar": 22.69661465871274,
"formula_full": "Ge1 I3",
"formula_reduced": "GeI3",
"formula_anonymous": "AB3",
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"spacegroup": 8
},
{
"id": "jvasp-115538",
"created_at": "2022-09-04T14:38:47.466419Z",
"updated_at": "2022-09-04T14:38:47.466452Z",
"structure_string": "Ba1 Ge1 Br2\n1.0\n4.094522 -0.000000 -0.000000\n0.000000 4.094522 0.000000\n0.000000 0.000000 7.872170\nBa Ge Br\n1 1 2\ndirect\n0.499999 0.499999 0.614787 Ba\n0.000000 0.000000 0.955173 Ge\n0.000000 0.000000 0.413093 Br\n0.499999 0.499999 0.026948 Br\n",
"nsites": 4,
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"elements": [
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"volume": 131.9777992043555,
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"formula_full": "Ba1 Ge1 Br2",
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"spacegroup": 99
},
{
"id": "jvasp-111351",
"created_at": "2022-09-04T14:38:47.184409Z",
"updated_at": "2022-09-04T14:38:47.184428Z",
"structure_string": "Na5 Br1 Cl4\n1.0\n3.982563 -0.000314 16.059393\n1.961307 3.466134 16.059393\n-0.000539 -0.000314 16.545843\nNa Br Cl\n5 1 4\ndirect\n0.601486 0.601488 0.601486 Na\n0.000000 0.000000 0.000000 Na\n0.398513 0.398514 0.398513 Na\n0.202929 0.202929 0.202929 Na\n0.797070 0.797072 0.797071 Na\n0.499999 0.500001 0.500000 Br\n0.097791 0.097791 0.097791 Cl\n0.699254 0.699256 0.699255 Cl\n0.300745 0.300745 0.300745 Cl\n0.902208 0.902210 0.902208 Cl\n",
"nsites": 10,
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"formula_full": "Na5 Br1 Cl4",
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},
{
"id": "jvasp-110448",
"created_at": "2022-09-04T14:38:38.730887Z",
"updated_at": "2022-09-04T14:38:38.730914Z",
"structure_string": "Mg2 Hg1 Au1\n1.0\n4.128605 0.000000 2.383651\n1.376202 3.892486 2.383651\n0.000000 0.000000 4.767303\nMg Hg Au\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750001 0.749999 Mg\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500001 0.499999 Au\n",
"nsites": 4,
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},
{
"id": "jvasp-112764",
"created_at": "2022-09-04T14:38:43.616542Z",
"updated_at": "2022-09-04T14:38:43.616550Z",
"structure_string": "Mg2 Co2 F10\n1.0\n4.786126 0.008383 1.759759\n1.001834 4.680107 1.759759\n-0.023392 -0.018948 7.053535\nMg Co F\n2 2 10\ndirect\n0.534566 0.465434 0.750000 Mg\n0.465435 0.534565 0.250000 Mg\n0.000000 0.000000 0.000000 Co\n0.000000 -0.000000 0.500000 Co\n0.102090 0.897910 0.250000 F\n0.897910 0.102090 0.749999 F\n0.199851 0.285130 0.367184 F\n0.714870 0.800150 0.132816 F\n0.722582 0.327452 0.032464 F\n0.672548 0.277418 0.467536 F\n0.277418 0.672547 0.967535 F\n0.327452 0.722582 0.532464 F\n0.285130 0.199850 0.867184 F\n0.800150 0.714870 0.632815 F\n",
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},
{
"id": "jvasp-114778",
"created_at": "2022-09-04T14:38:43.639784Z",
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"structure_string": "Rb1 Na1 Cl1\n1.0\n5.321951 -0.031492 0.000000\n0.037726 6.398634 0.000000\n0.000000 0.000000 4.327635\nRb Na Cl\n1 1 1\ndirect\n-0.075915 0.450431 0.000000 Rb\n0.423978 -0.049553 0.000000 Na\n-0.076036 -0.049559 0.000000 Cl\n",
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}
]
}