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{
"id": "jvasp-105218",
"created_at": "2022-09-04T14:36:52.730542Z",
"updated_at": "2022-09-04T14:36:52.730561Z",
"structure_string": "Na6 Yb2\n1.0\n7.533831 -0.000000 0.000000\n-3.766915 6.524489 0.000000\n-0.000000 -0.000000 6.115267\nYb Na\n2 6\ndirect\n0.333333 0.666667 0.750000 Yb\n0.666666 0.333333 0.250000 Yb\n0.163314 0.326629 0.250000 Na\n0.673371 0.836686 0.250000 Na\n0.163313 0.836686 0.250000 Na\n0.836686 0.673372 0.750000 Na\n0.326628 0.163314 0.750000 Na\n0.836686 0.163314 0.750000 Na\n",
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{
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"structure_string": "In2 Br6\n1.0\n6.606214 0.026745 1.094593\n1.691188 5.644199 3.363890\n0.011911 0.032527 6.781643\nIn Br\n2 6\ndirect\n0.000000 0.833454 0.333092 In\n-0.000000 0.166547 0.666907 In\n0.249981 0.765718 -0.000000 Br\n0.753622 0.924698 0.655665 Br\n0.750018 0.234283 -0.000001 Br\n0.246377 0.075304 0.344333 Br\n0.753622 0.580364 0.344333 Br\n0.246377 0.419637 0.655666 Br\n",
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{
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"created_at": "2022-09-04T14:36:53.148586Z",
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"structure_string": "Rb2 In1 Au1 Cl6\n1.0\n6.387567 -0.000000 3.687863\n2.129189 6.022256 3.687863\n-0.000000 -0.000000 7.375727\nRb In Au Cl\n2 1 1 6\ndirect\n0.750000 0.750001 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.499999 Au\n0.754508 0.245493 0.245492 Cl\n0.245493 0.245493 0.754508 Cl\n0.245493 0.754508 0.754507 Cl\n0.245493 0.754508 0.245492 Cl\n0.754508 0.245493 0.754507 Cl\n0.754508 0.754508 0.245491 Cl\n",
"nsites": 10,
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"density_atomic": 0.03524524102200329,
"volume": 283.72624814104944,
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"formula_full": "Rb2 In1 Au1 Cl6",
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"formula_anonymous": "ABC2D6",
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{
"id": "jvasp-101490",
"created_at": "2022-09-04T14:36:53.013447Z",
"updated_at": "2022-09-04T14:36:53.013455Z",
"structure_string": "K2 Sc1 In1 Br6\n1.0\n6.983797 -0.000000 4.032097\n2.327932 6.584387 4.032097\n-0.000000 -0.000000 8.064194\nK Sc In Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 In\n0.768312 0.231688 0.231688 Br\n0.231688 0.231688 0.768311 Br\n0.231688 0.768312 0.768312 Br\n0.231688 0.768312 0.231688 Br\n0.768312 0.231688 0.768312 Br\n0.768312 0.768312 0.231689 Br\n",
"nsites": 10,
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"elements": [
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"density": 3.2124710645226537,
"density_atomic": 0.02696696534621387,
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"formula_full": "K2 Sc1 In1 Br6",
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{
"id": "jvasp-8540",
"created_at": "2022-09-04T14:37:00.990293Z",
"updated_at": "2022-09-04T14:37:00.990324Z",
"structure_string": "In1 As1 F6\n1.0\n4.961778 -0.027800 -0.557582\n-0.620658 4.922884 -0.557582\n-0.024654 -0.027800 4.992947\nIn As F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500001 As\n0.695494 0.421048 0.794758 F\n0.421049 0.794757 0.695494 F\n0.205243 0.304506 0.578952 F\n0.578952 0.205243 0.304507 F\n0.304506 0.578951 0.205243 F\n0.794758 0.695493 0.421049 F\n",
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"formula_full": "In1 As1 F6",
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{
"id": "jvasp-12521",
"created_at": "2022-09-04T14:37:06.060270Z",
"updated_at": "2022-09-04T14:37:06.060297Z",
"structure_string": "Hg8 Cl4 O4\n1.0\n6.027899 0.000000 0.000000\n-3.013949 5.842823 -1.610186\n0.000000 0.044483 9.652417\nHg Cl O\n8 4 4\ndirect\n0.143076 0.895503 0.603756 Hg\n0.247572 0.104496 0.896244 Hg\n0.856924 0.104496 0.396244 Hg\n0.752427 0.895503 0.103756 Hg\n0.592991 -0.000000 0.750000 Hg\n0.407009 -0.000000 0.250000 Hg\n0.500000 0.500000 0.500000 Hg\n-0.000000 0.500000 -0.000000 Hg\n0.487238 0.389666 0.145673 Cl\n0.097572 0.610334 0.354327 Cl\n0.512761 0.610333 0.854327 Cl\n0.902427 0.389665 0.645673 Cl\n0.254095 0.156910 0.439734 O\n0.097184 0.843089 0.060265 O\n0.745905 0.843089 0.560265 O\n0.902816 0.156910 0.939734 O\n",
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{
"id": "jvasp-80762",
"created_at": "2022-09-04T14:37:06.066299Z",
"updated_at": "2022-09-04T14:37:06.066326Z",
"structure_string": "Mg2 Hg1 Pb1\n1.0\n-11.457151 2.480397 -2.564892\n-8.349989 1.444979 1.078537\n-7.328116 4.335425 -0.691569\nMg Hg Pb\n2 1 1\ndirect\n0.715038 0.029439 0.029443 Mg\n0.284962 -0.029439 -0.029441 Mg\n0.000000 0.000000 0.000000 Hg\n0.500000 0.000000 0.000001 Pb\n",
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},
{
"id": "jvasp-106645",
"created_at": "2022-09-04T14:37:01.105702Z",
"updated_at": "2022-09-04T14:37:01.105712Z",
"structure_string": "Rb2 Sn1 F6\n1.0\n5.310950 -0.000000 3.066278\n1.770317 5.007211 3.066278\n-0.000000 -0.000000 6.132557\nRb Sn F\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750001 0.750000 0.750001 Rb\n0.000000 0.000000 0.000000 Sn\n0.769409 0.230591 0.230592 F\n0.230592 0.769408 0.769409 F\n0.230592 0.769408 0.230592 F\n0.769409 0.230591 0.769409 F\n0.230591 0.230591 0.769409 F\n0.769409 0.769408 0.230592 F\n",
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{
"id": "jvasp-100571",
"created_at": "2022-09-04T14:37:01.031257Z",
"updated_at": "2022-09-04T14:37:01.031284Z",
"structure_string": "K1 Na2 Sc1 F6\n1.0\n5.458840 -0.000000 3.151662\n1.819613 5.146643 3.151662\n-0.000000 -0.000000 6.303324\nK Na Sc F\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Sc\n0.774237 0.225763 0.225763 F\n0.225763 0.225763 0.774236 F\n0.225763 0.774237 0.774236 F\n0.225763 0.774237 0.225763 F\n0.774237 0.225763 0.774236 F\n0.774237 0.774237 0.225763 F\n",
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{
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"created_at": "2022-09-04T14:37:01.153972Z",
"updated_at": "2022-09-04T14:37:01.153994Z",
"structure_string": "Mg2 Ag1 Hg1\n1.0\n4.145149 -0.000000 2.393203\n1.381716 3.908084 2.393203\n-0.000000 -0.000000 4.786406\nMg Ag Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Mg\n0.750001 0.749999 0.750000 Mg\n0.500001 0.499999 0.500000 Ag\n0.000000 0.000000 0.000000 Hg\n",
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{
"id": "jvasp-106206",
"created_at": "2022-09-04T14:36:52.666287Z",
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"structure_string": "K2 In1 Ag1 I6\n1.0\n7.209311 -0.000000 4.162298\n2.403104 6.797004 4.162298\n-0.000000 -0.000000 8.324596\nK In 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 In\n0.500000 0.500000 0.500001 Ag\n0.749864 0.250135 0.250136 I\n0.250135 0.250135 0.749865 I\n0.250135 0.749864 0.749866 I\n0.250135 0.749864 0.250136 I\n0.749864 0.250135 0.749865 I\n0.749864 0.749864 0.250136 I\n",
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{
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"created_at": "2022-09-04T14:37:06.108290Z",
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"structure_string": "Sr2 Cd2 Pb2\n1.0\n5.159113 0.061716 3.931627\n2.618769 4.445481 3.931627\n-0.074977 -0.043448 8.081898\nSr Cd Pb\n2 2 2\ndirect\n0.456041 0.456042 0.797100 Sr\n0.543957 0.543958 0.202902 Sr\n0.848042 0.848043 0.596241 Cd\n0.151957 0.151958 0.403760 Cd\n0.168506 0.168506 0.780525 Pb\n0.831493 0.831494 0.219476 Pb\n",
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