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{
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{
"id": "jvasp-41016",
"created_at": "2022-09-04T14:37:37.249142Z",
"updated_at": "2022-09-04T14:37:37.249172Z",
"structure_string": "Ca1 Sm1 Cd2\n1.0\n0.000000 3.781223 3.781223\n3.781223 -0.000000 3.781223\n3.781223 3.781223 -0.000000\nCa Sm Cd\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ca\n0.749999 0.749999 0.749999 Sm\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n",
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{
"id": "jvasp-41327",
"created_at": "2022-09-04T14:37:37.224479Z",
"updated_at": "2022-09-04T14:37:37.224499Z",
"structure_string": "Na1 Sr2 Tl1\n1.0\n-0.000000 4.142714 4.142714\n4.142714 -0.000000 4.142714\n4.142714 4.142714 0.000000\nNa Sr Tl\n1 2 1\ndirect\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Sr\n0.499998 0.499998 0.499998 Sr\n0.749998 0.749998 0.749998 Tl\n",
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{
"id": "jvasp-106205",
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"updated_at": "2022-09-04T14:37:47.196285Z",
"structure_string": "K2 Hg1 Sb1 Br6\n1.0\n6.975050 -0.000000 4.027047\n2.325017 6.576140 4.027047\n0.000000 0.000000 8.054094\nK Hg Sb Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Sb\n0.755131 0.244869 0.244869 Br\n0.244869 0.244869 0.755131 Br\n0.244869 0.755131 0.755131 Br\n0.244869 0.755131 0.244869 Br\n0.755131 0.244869 0.755131 Br\n0.755131 0.755131 0.244869 Br\n",
"nsites": 10,
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"elements": [
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"density_atomic": 0.027068546151681378,
"volume": 369.4324750196768,
"volume_molar": 22.24774365883678,
"formula_full": "K2 Hg1 Sb1 Br6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
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{
"id": "jvasp-40281",
"created_at": "2022-09-04T14:37:47.373263Z",
"updated_at": "2022-09-04T14:37:47.373283Z",
"structure_string": "Sr1 Mg1 Tl2\n1.0\n-0.000000 3.849278 3.849278\n3.849278 -0.000000 3.849278\n3.849278 3.849278 0.000000\nSr Mg Tl\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Sr\n0.250001 0.250001 0.250001 Mg\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Tl\n",
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"elements": [
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"chemical_system": "Mg-Sr-Tl",
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"density_atomic": 0.03506647917163934,
"volume": 114.06905097090767,
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"spacegroup": 225
},
{
"id": "jvasp-16474",
"created_at": "2022-09-04T14:37:38.322354Z",
"updated_at": "2022-09-04T14:37:38.322381Z",
"structure_string": "Ti1 Cd1 Hg2\n1.0\n4.449802 0.000000 -0.000000\n0.000000 4.449802 0.000000\n0.000000 0.000000 4.110486\nTi Cd Hg\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Ti\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000000 0.500001 Hg\n0.000000 0.500000 0.500001 Hg\n",
"nsites": 4,
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"elements": [
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"density": 11.454913779621236,
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"volume": 81.39065567771829,
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"spacegroup": 123
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{
"id": "jvasp-41302",
"created_at": "2022-09-04T14:37:38.337189Z",
"updated_at": "2022-09-04T14:37:38.337214Z",
"structure_string": "Na1 In1 Hg2\n1.0\n-0.000000 3.687208 3.687208\n3.687208 -0.000000 3.687208\n3.687208 3.687208 0.000000\nNa In Hg\n1 1 2\ndirect\n0.750002 0.750002 0.750002 Na\n0.250000 0.250000 0.250000 In\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"density": 8.926991061309101,
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{
"id": "jvasp-109020",
"created_at": "2022-09-04T14:37:47.395590Z",
"updated_at": "2022-09-04T14:37:47.395625Z",
"structure_string": "Ba2 Mg1 Tl1\n1.0\n5.238969 -0.000000 3.024720\n1.746323 4.939347 3.024720\n-0.000000 -0.000000 6.049440\nBa Mg Tl\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Tl\n",
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{
"id": "jvasp-24821",
"created_at": "2022-09-04T14:37:37.050560Z",
"updated_at": "2022-09-04T14:37:37.050583Z",
"structure_string": "K4 Sc4 F16\n1.0\n4.105280 -0.000000 0.000000\n-2.052639 7.364701 -2.402229\n0.000000 0.033488 13.386592\nK Sc F\n4 4 16\ndirect\n0.633383 0.266767 0.363761 K\n0.366617 0.733233 0.636239 K\n0.244183 0.488365 0.135877 K\n0.755817 0.511635 0.864122 K\n0.972374 0.944749 0.139592 Sc\n0.876933 0.753868 0.386532 Sc\n0.123067 0.246132 0.613467 Sc\n0.027626 0.055251 0.860408 Sc\n0.162468 0.324935 0.929261 F\n0.837532 0.675065 0.070738 F\n0.179898 0.359796 0.501406 F\n0.820102 0.640204 0.498594 F\n0.000000 0.000000 0.500000 F\n0.895762 0.791524 0.782461 F\n0.104237 0.208476 0.217539 F\n0.763537 0.527075 0.268005 F\n0.236463 0.472925 0.731995 F\n0.470252 0.940504 0.143907 F\n0.529748 0.059496 0.856093 F\n0.954821 0.909641 0.284834 F\n0.045179 0.090359 0.715166 F\n0.000000 0.000000 0.000000 F\n0.380567 0.761135 0.382485 F\n0.619433 0.238865 0.617515 F\n",
"nsites": 24,
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"elements": [
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"density": 2.6244403391783546,
"density_atomic": 0.05925009913992649,
"volume": 405.06261336915253,
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{
"id": "jvasp-14104",
"created_at": "2022-09-04T14:37:29.323192Z",
"updated_at": "2022-09-04T14:37:29.323205Z",
"structure_string": "K4 In4 Br16\n1.0\n7.894724 0.000000 0.000000\n0.000000 10.357366 0.000000\n0.000000 0.000000 10.275942\nK In Br\n4 4 16\ndirect\n0.823154 0.250000 0.250000 K\n0.676845 0.250000 0.750000 K\n0.176845 0.750000 0.750000 K\n0.323155 0.750000 0.250000 K\n0.250000 0.321145 0.500000 In\n0.250000 0.178855 0.000000 In\n0.750000 0.678855 0.500000 In\n0.750000 0.821145 0.000000 In\n0.993881 0.178233 0.545163 Br\n0.993881 0.321767 0.954837 Br\n0.493881 0.678233 0.954837 Br\n0.493881 0.821767 0.545163 Br\n0.006119 0.821767 0.454837 Br\n0.006119 0.678233 0.045163 Br\n0.151907 0.044331 0.192991 Br\n0.848092 0.955669 0.807009 Br\n0.348093 0.455669 0.692991 Br\n0.348093 0.044331 0.807009 Br\n0.506118 0.178233 0.454837 Br\n0.848092 0.544332 0.692991 Br\n0.651907 0.544332 0.307009 Br\n0.651907 0.955669 0.192991 Br\n0.151907 0.455669 0.307009 Br\n0.506118 0.321767 0.045163 Br\n",
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"elements": [
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"volume": 840.2488354727834,
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"formula_full": "K4 In4 Br16",
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{
"id": "jvasp-39538",
"created_at": "2022-09-04T14:37:49.068136Z",
"updated_at": "2022-09-04T14:37:49.068168Z",
"structure_string": "Zn1 Ga3\n1.0\n4.179594 -0.000000 0.000000\n-0.000000 4.179594 -0.000000\n0.000000 -0.000000 4.179594\nZn Ga\n1 3\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.499999 0.499999 Ga\n0.499999 0.000000 0.499999 Ga\n0.499999 0.499999 0.000000 Ga\n",
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{
"id": "jvasp-109062",
"created_at": "2022-09-04T14:37:49.054732Z",
"updated_at": "2022-09-04T14:37:49.054748Z",
"structure_string": "Na2 Sr6\n1.0\n8.209531 0.000000 0.000000\n-4.104767 7.109662 0.000000\n-0.000000 -0.000000 6.718441\nNa Sr\n2 6\ndirect\n0.333333 0.666666 0.750000 Na\n0.666666 0.333333 0.250000 Na\n0.166857 0.833142 0.250000 Sr\n0.833142 0.666286 0.750000 Sr\n0.333714 0.166857 0.750000 Sr\n0.833142 0.166857 0.750000 Sr\n0.166857 0.333714 0.250000 Sr\n0.666286 0.833142 0.250000 Sr\n",
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"volume": 392.13518261654036,
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{
"id": "jvasp-41037",
"created_at": "2022-09-04T14:37:38.434722Z",
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"structure_string": "Ac1 Cd1 Hg2\n1.0\n0.000000 3.803914 3.803914\n3.803914 0.000000 3.803914\n3.803914 3.803914 -0.000000\nAc Cd Hg\n1 1 2\ndirect\n0.250001 0.250001 0.250001 Ac\n0.749999 0.749999 0.749999 Cd\n0.000000 0.000000 0.000000 Hg\n0.499999 0.499999 0.499999 Hg\n",
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}