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{
"id": "jvasp-36889",
"created_at": "2022-09-04T14:37:58.067886Z",
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"structure_string": "Rb1 Sn1 F3\n1.0\n-4.531772 0.007315 0.150908\n-0.031399 -4.496361 -0.176785\n0.233723 0.792251 5.136389\nRb Sn F\n1 1 3\ndirect\n0.000406 0.035298 0.930678 Rb\n0.498328 0.461272 0.478827 Sn\n-0.000396 0.464121 0.564916 F\n0.505274 0.556981 0.890686 F\n0.496391 0.972327 0.574890 F\n",
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{
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"structure_string": "Ni2 F6\n1.0\n4.249290 0.027713 2.917849\n1.550544 3.956394 2.917849\n0.040343 0.027713 5.154482\nNi F\n2 6\ndirect\n0.000000 0.000000 0.000000 Ni\n0.500000 0.499999 0.500001 Ni\n0.610785 0.244077 0.898817 F\n0.898815 0.610784 0.244080 F\n0.244078 0.898814 0.610787 F\n0.389214 0.755921 0.101185 F\n0.101184 0.389214 0.755922 F\n0.755922 0.101183 0.389215 F\n",
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{
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"structure_string": "Hg3 Au1\n1.0\n4.490935 0.000000 0.000000\n-0.000000 4.490935 -0.000000\n-0.000000 0.000000 4.490935\nHg Au\n3 1\ndirect\n0.000000 0.500001 0.500001 Hg\n0.500001 0.000000 0.500001 Hg\n0.500001 0.500001 0.000000 Hg\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
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"volume": 90.57540985712816,
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{
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"created_at": "2022-09-04T14:38:07.822953Z",
"updated_at": "2022-09-04T14:38:07.822978Z",
"structure_string": "In2 Cl6\n1.0\n8.904165 -0.000200 -0.000409\n-4.452258 7.711784 0.000579\n-0.000157 0.000163 3.451565\nIn Cl\n2 6\ndirect\n0.666662 0.333325 0.250003 In\n0.333337 0.666673 0.749999 In\n0.791324 0.208682 0.749996 Cl\n0.417344 0.208673 0.750001 Cl\n0.791315 0.582624 0.750010 Cl\n0.208675 0.791316 0.250006 Cl\n0.582656 0.791325 0.250005 Cl\n0.208685 0.417374 0.249994 Cl\n",
"nsites": 8,
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"elements": [
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"density": 3.0992783139094864,
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"volume": 237.0055296325442,
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"formula_full": "In2 Cl6",
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"spacegroup": 194
},
{
"id": "jvasp-40308",
"created_at": "2022-09-04T14:37:47.760183Z",
"updated_at": "2022-09-04T14:37:47.760215Z",
"structure_string": "Li1 Ga3\n1.0\n4.078895 -0.000000 -0.000000\n-0.000000 4.078895 -0.000000\n-0.000000 -0.000000 4.078895\nLi Ga\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.500001 0.000000 0.500001 Ga\n0.000000 0.500001 0.500001 Ga\n0.500001 0.500001 0.000000 Ga\n",
"nsites": 4,
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"elements": [
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"volume": 67.86214412799677,
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},
{
"id": "jvasp-79330",
"created_at": "2022-09-04T14:37:19.078535Z",
"updated_at": "2022-09-04T14:37:19.078563Z",
"structure_string": "Li1 Ga3\n1.0\n4.078895 -0.000000 -0.000000\n0.000000 4.078895 -0.000000\n0.000000 -0.000000 4.078895\nLi Ga\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.500002 0.000000 0.500002 Ga\n0.000000 0.500002 0.500002 Ga\n0.500002 0.500002 0.000000 Ga\n",
"nsites": 4,
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{
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"created_at": "2022-09-04T14:38:37.793366Z",
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"structure_string": "Li1 Ga3\n1.0\n4.078895 0.000000 -0.000000\n0.000000 4.078895 0.000000\n0.000000 0.000000 4.078895\nLi Ga\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.500001 0.000000 0.500001 Ga\n0.000000 0.500001 0.500001 Ga\n0.500001 0.500001 0.000000 Ga\n",
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{
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"created_at": "2022-09-04T14:37:09.909534Z",
"updated_at": "2022-09-04T14:37:09.909561Z",
"structure_string": "Zn1 Cd1 O2\n1.0\n3.414917 -0.000000 0.000000\n-1.707458 2.957406 0.000000\n-0.000000 -0.000000 5.695410\nZn Cd O\n1 1 2\ndirect\n0.000000 0.000000 0.996210 Zn\n0.666667 0.333334 0.488628 Cd\n0.666667 0.333334 0.098663 O\n0.000000 0.000000 0.652500 O\n",
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"formula_full": "Zn1 Cd1 O2",
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"formula_anonymous": "ABC2",
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},
{
"id": "jvasp-94901",
"created_at": "2022-09-04T14:36:33.213163Z",
"updated_at": "2022-09-04T14:36:33.213190Z",
"structure_string": "K2 Cu1 F4\n1.0\n3.897134 0.000000 0.000000\n0.000000 4.256003 -0.000000\n0.000000 -2.128001 6.194773\nK Cu F\n2 1 4\ndirect\n0.500000 0.350473 0.700946 K\n0.500000 0.649526 0.299053 K\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.000000 F\n0.500000 0.000000 0.000000 F\n0.000000 0.161504 0.323008 F\n0.000000 0.838495 0.676992 F\n",
"nsites": 7,
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"volume": 102.74783063093841,
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"formula_full": "K2 Cu1 F4",
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"formula_anonymous": "AB2C4",
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"spacegroup": 65
},
{
"id": "jvasp-115682",
"created_at": "2022-09-04T14:38:45.518792Z",
"updated_at": "2022-09-04T14:38:45.518816Z",
"structure_string": "Pb2 Br2 Cl2\n1.0\n7.770628 0.000000 0.698717\n0.000000 4.593564 0.000000\n-2.546333 0.000000 5.007041\nPb Br Cl\n2 2 2\ndirect\n0.715861 0.749999 0.884321 Pb\n0.284140 0.250000 0.115678 Pb\n0.077252 0.749999 0.776133 Br\n0.922748 0.250000 0.223866 Br\n0.442148 0.250000 0.710720 Cl\n0.557853 0.749999 0.289279 Cl\n",
"nsites": 6,
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"volume": 186.89842641871445,
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},
{
"id": "jvasp-36994",
"created_at": "2022-09-04T14:38:05.705514Z",
"updated_at": "2022-09-04T14:38:05.705532Z",
"structure_string": "Rb2 Sr2 Cl6\n1.0\n-6.828583 -0.000000 3.499570\n-4.311036 6.347560 -0.000000\n-6.750524 0.053016 -4.760084\nRb Sr Cl\n2 2 6\ndirect\n0.862058 0.862058 0.413826 Rb\n0.137943 0.137943 0.586172 Rb\n0.656135 0.656135 0.031594 Sr\n0.343864 0.343865 0.968406 Sr\n0.473366 0.703138 0.765462 Cl\n0.058033 0.473367 0.765463 Cl\n0.703138 0.058033 0.765463 Cl\n0.526634 0.296864 0.234535 Cl\n0.296863 0.941966 0.234537 Cl\n0.941967 0.526634 0.234537 Cl\n",
"nsites": 10,
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{
"id": "jvasp-113665",
"created_at": "2022-09-04T14:38:48.204773Z",
"updated_at": "2022-09-04T14:38:48.204802Z",
"structure_string": "Li2 Br2\n1.0\n3.952426 -0.321994 -0.803995\n-2.005360 -3.421489 0.954184\n0.069554 -0.162816 -6.924498\nLi Br\n2 2\ndirect\n0.924372 0.006467 0.919606 Li\n0.424029 0.505860 0.419653 Li\n0.553675 0.383886 0.044953 Br\n0.053405 0.883326 0.544938 Br\n",
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}
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}