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{
"id": "jvasp-69088",
"created_at": "2022-09-04T14:35:59.359505Z",
"updated_at": "2022-09-04T14:35:59.359525Z",
"structure_string": "Ba1 Co1 Hg4\n1.0\n0.000000 4.309773 4.309773\n4.309773 0.000000 4.309773\n4.309773 4.309773 -0.000000\nBa Co Hg\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Co\n0.122029 0.625990 0.625990 Hg\n0.625990 0.625990 0.625990 Hg\n0.625990 0.122029 0.625990 Hg\n0.625990 0.625990 0.122029 Hg\n",
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{
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"created_at": "2022-09-04T14:36:49.970534Z",
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"structure_string": "Ba1 Sr1 Hg2\n1.0\n4.989169 -0.000000 2.880498\n1.663056 4.703833 2.880498\n-0.000000 -0.000000 5.760996\nBa Sr Hg\n1 1 2\ndirect\n0.500001 0.500000 0.500001 Ba\n0.000000 0.000000 0.000000 Sr\n0.250000 0.250000 0.250000 Hg\n0.750001 0.749999 0.750001 Hg\n",
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{
"id": "jvasp-105002",
"created_at": "2022-09-04T14:36:46.099280Z",
"updated_at": "2022-09-04T14:36:46.099306Z",
"structure_string": "K2 Tl1 Ga1 Br6\n1.0\n6.873948 -0.000000 3.968676\n2.291316 6.480820 3.968676\n-0.000000 -0.000000 7.937351\nK Tl Ga Br\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Ga\n0.771855 0.228145 0.228146 Br\n0.228146 0.228145 0.771855 Br\n0.228146 0.771855 0.771855 Br\n0.228146 0.771855 0.228146 Br\n0.771855 0.228145 0.771855 Br\n0.771855 0.771855 0.228146 Br\n",
"nsites": 10,
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"elements": [
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"chemical_system": "Br-Ga-K-Tl",
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"density_atomic": 0.028280573505218044,
"volume": 353.59961841491304,
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"formula_full": "K2 Tl1 Ga1 Br6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
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{
"id": "jvasp-64170",
"created_at": "2022-09-04T14:36:14.337606Z",
"updated_at": "2022-09-04T14:36:14.337631Z",
"structure_string": "Ba4 Hg1 Se1\n1.0\n0.000000 4.964706 4.964706\n4.964706 0.000000 4.964706\n4.964706 4.964706 -0.000000\nBa Hg Se\n4 1 1\ndirect\n0.121351 0.626217 0.626217 Ba\n0.626217 0.626217 0.626217 Ba\n0.626217 0.121351 0.626217 Ba\n0.626217 0.626217 0.121351 Ba\n0.250000 0.250000 0.250000 Hg\n0.000000 0.000000 0.000000 Se\n",
"nsites": 6,
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"elements": [
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"density": 5.623654469378252,
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"volume": 244.74318206397754,
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"formula_full": "Ba4 Hg1 Se1",
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"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-101486",
"created_at": "2022-09-04T14:36:37.459095Z",
"updated_at": "2022-09-04T14:36:37.459122Z",
"structure_string": "K2 Rb1 Au1 Br6\n1.0\n7.049783 -0.000000 4.070194\n2.349928 6.646599 4.070194\n-0.000000 -0.000000 8.140389\nK Rb Au Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Au\n0.770365 0.229635 0.229634 Br\n0.229635 0.229635 0.770365 Br\n0.229635 0.770365 0.770365 Br\n0.229635 0.770365 0.229634 Br\n0.770365 0.229635 0.770365 Br\n0.770365 0.770365 0.229634 Br\n",
"nsites": 10,
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"elements": [
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"Au",
"Br"
],
"chemical_system": "Au-Br-K-Rb",
"density": 3.6570964704876054,
"density_atomic": 0.026216795969915167,
"volume": 381.43486379782655,
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"formula_full": "K2 Rb1 Au1 Br6",
"formula_reduced": "K2RbAuBr6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
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{
"id": "jvasp-105684",
"created_at": "2022-09-04T14:35:43.910691Z",
"updated_at": "2022-09-04T14:35:43.910714Z",
"structure_string": "Rb2 Na1 Sb1 I6\n1.0\n7.415985 0.000000 4.281621\n2.471995 6.991859 4.281621\n0.000000 0.000000 8.563243\nRb Na Sb I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sb\n0.751951 0.248049 0.248049 I\n0.248049 0.248049 0.751950 I\n0.248049 0.751951 0.751951 I\n0.248049 0.751951 0.248049 I\n0.751951 0.248049 0.751950 I\n0.751951 0.751951 0.248049 I\n",
"nsites": 10,
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"elements": [
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],
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"density": 4.028192955335747,
"density_atomic": 0.022521651166227185,
"volume": 444.01717823405903,
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"formula_full": "Rb2 Na1 Sb1 I6",
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{
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"created_at": "2022-09-04T14:36:37.333597Z",
"updated_at": "2022-09-04T14:36:37.333621Z",
"structure_string": "K2 Rb1 Al1 F6\n1.0\n5.405639 0.000000 3.120947\n1.801880 5.096486 3.120947\n0.000000 0.000000 6.241895\nK Rb Al F\n2 1 1 6\ndirect\n0.750000 0.750001 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Al\n0.793060 0.206940 0.206940 F\n0.206940 0.206940 0.793060 F\n0.206940 0.793061 0.793060 F\n0.206940 0.793061 0.206940 F\n0.793060 0.206940 0.793060 F\n0.793060 0.793061 0.206940 F\n",
"nsites": 10,
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"elements": [
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"density": 2.941687250792687,
"density_atomic": 0.05815213532037901,
"volume": 171.96273094542016,
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"formula_full": "K2 Rb1 Al1 F6",
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{
"id": "jvasp-100596",
"created_at": "2022-09-04T14:36:32.853774Z",
"updated_at": "2022-09-04T14:36:32.853799Z",
"structure_string": "Ga3 Te1\n1.0\n4.078428 0.003262 -4.277483\n-0.651294 4.026091 -4.277483\n-0.002774 -0.003262 5.910197\nGa Te\n3 1\ndirect\n0.750001 0.250000 0.500001 Ga\n0.250001 0.750000 0.500002 Ga\n0.500001 0.500000 0.000001 Ga\n0.000000 0.000000 0.000000 Te\n",
"nsites": 4,
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"elements": [
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"density": 5.768406472877874,
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"volume": 96.9449853350608,
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},
{
"id": "jvasp-90854",
"created_at": "2022-09-04T14:35:43.386296Z",
"updated_at": "2022-09-04T14:35:43.386320Z",
"structure_string": "K1 Cd4 As3\n1.0\n-2.266297 -3.925342 0.000000\n2.266297 -3.925342 0.000000\n-0.000000 -2.616894 12.031292\nK Cd As\n1 4 3\ndirect\n0.500000 0.500000 0.500000 K\n0.089762 0.089762 0.730713 Cd\n0.910237 0.910237 0.269287 Cd\n0.301042 0.301042 0.096873 Cd\n0.698957 0.698957 0.903127 Cd\n0.226460 0.226460 0.320621 As\n0.773540 0.773540 0.679379 As\n0.000000 0.000000 0.000000 As\n",
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"density": 5.534913123847254,
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"spacegroup": 166
},
{
"id": "jvasp-105687",
"created_at": "2022-09-04T14:35:56.429241Z",
"updated_at": "2022-09-04T14:35:56.429262Z",
"structure_string": "Rb3 In1 Br6\n1.0\n7.138301 0.000000 4.121300\n2.379433 6.730055 4.121300\n0.000000 0.000000 8.242600\nRb In Br\n3 1 6\ndirect\n0.750000 0.749999 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 In\n0.770014 0.229985 0.229986 Br\n0.229986 0.229985 0.770015 Br\n0.229985 0.770014 0.770015 Br\n0.229985 0.770014 0.229986 Br\n0.770014 0.229985 0.770015 Br\n0.770014 0.770014 0.229986 Br\n",
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{
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"created_at": "2022-09-04T14:35:59.490490Z",
"updated_at": "2022-09-04T14:35:59.490505Z",
"structure_string": "Yb1 Cu4 Ag1\n1.0\n-3.541784 -3.541784 0.000000\n-3.541784 0.000000 -3.541784\n0.000000 -3.541784 -3.541784\nYb Cu Ag\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.873973 0.375342 0.375342 Cu\n0.375342 0.873973 0.375342 Cu\n0.375342 0.375342 0.873973 Cu\n0.375342 0.375342 0.375342 Cu\n0.749999 0.749999 0.749999 Ag\n",
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{
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"created_at": "2022-09-04T14:37:44.181715Z",
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"structure_string": "Zn1 Cd1 S2\n1.0\n3.982490 0.000000 -0.000000\n0.000000 3.982490 0.000000\n0.000000 0.000000 5.736495\nZn Cd S\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000000 0.275301 S\n0.000000 0.500000 0.724698 S\n",
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