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{
"id": "jvasp-98568",
"created_at": "2022-09-04T14:35:51.768958Z",
"updated_at": "2022-09-04T14:35:51.768988Z",
"structure_string": "Rb4 Ag2 Au6 I16\n1.0\n7.589619 -0.000000 0.000000\n-3.794810 6.512498 -1.338593\n0.000000 -0.198778 20.985864\nRb Ag Au I\n4 2 6 16\ndirect\n0.734929 0.414380 0.593352 Rb\n0.679451 0.414380 0.093352 Rb\n0.265071 0.585620 0.406648 Rb\n0.320549 0.585620 0.906648 Rb\n0.974411 -0.000000 0.250000 Ag\n0.025589 -0.000000 0.750000 Ag\n-0.000000 -0.000000 0.500000 Au\n0.593973 0.194110 0.302001 Au\n0.406028 0.805890 0.697998 Au\n0.399863 0.805890 0.197999 Au\n0.600137 0.194110 0.802001 Au\n0.000000 0.000000 0.000000 Au\n0.582783 0.644470 0.251598 I\n0.333321 0.098605 0.934987 I\n0.195578 0.942928 0.143089 I\n0.765284 0.098605 0.434987 I\n0.230918 0.395080 0.565824 I\n0.666679 0.901395 0.065013 I\n0.835839 0.604920 0.934176 I\n0.769082 0.604920 0.434176 I\n0.747350 0.942928 0.643089 I\n0.164161 0.395080 0.065824 I\n0.252650 0.057072 0.356911 I\n0.417217 0.355530 0.748402 I\n0.061687 0.644469 0.751598 I\n0.938313 0.355530 0.248402 I\n0.234716 0.901395 0.565012 I\n0.804422 0.057072 0.856911 I\n",
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"formula_full": "Rb4 Ag2 Au6 I16",
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{
"id": "jvasp-107853",
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"structure_string": "Rb2 Ag1 Au1 F6\n1.0\n5.416100 -0.000000 3.126987\n1.805367 5.106348 3.126987\n-0.000000 -0.000000 6.253973\nRb Ag Au F\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 Ag\n0.000000 0.000000 0.000000 Au\n0.751080 0.248921 0.248921 F\n0.248921 0.248921 0.751079 F\n0.248921 0.751080 0.751079 F\n0.248921 0.751080 0.248921 F\n0.751080 0.248921 0.751079 F\n0.751080 0.751080 0.248921 F\n",
"nsites": 10,
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"elements": [
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"chemical_system": "Ag-Au-F-Rb",
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"density_atomic": 0.05781584998774943,
"volume": 172.96295050784335,
"volume_molar": 10.416072342231462,
"formula_full": "Rb2 Ag1 Au1 F6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
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{
"id": "jvasp-102081",
"created_at": "2022-09-04T14:36:42.984834Z",
"updated_at": "2022-09-04T14:36:42.984844Z",
"structure_string": "Rb2 Ag1 Au1 Cl6\n1.0\n6.249514 0.000000 3.608159\n2.083171 5.892099 3.608159\n0.000000 -0.000000 7.216318\nRb Ag Au Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Au\n0.751795 0.248204 0.248205 Cl\n0.248204 0.248204 0.751796 Cl\n0.248204 0.751796 0.751796 Cl\n0.248204 0.751796 0.248205 Cl\n0.751795 0.248204 0.751796 Cl\n0.751795 0.751796 0.248205 Cl\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Ag-Au-Cl-Rb",
"density": 4.30242949159751,
"density_atomic": 0.037632932063852084,
"volume": 265.72471108636773,
"volume_molar": 16.00231613572439,
"formula_full": "Rb2 Ag1 Au1 Cl6",
"formula_reduced": "Rb2AgAuCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-106450",
"created_at": "2022-09-04T14:36:44.996751Z",
"updated_at": "2022-09-04T14:36:44.996777Z",
"structure_string": "Rb2 Ag1 Au1 Br6\n1.0\n6.596221 -0.000000 3.808330\n2.198740 6.218977 3.808330\n-0.000000 -0.000000 7.616660\nRb Ag Au Br\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 Ag\n0.000000 0.000000 0.000000 Au\n0.751524 0.248476 0.248476 Br\n0.248476 0.248476 0.751524 Br\n0.248476 0.751524 0.751524 Br\n0.248476 0.751524 0.248476 Br\n0.751524 0.248476 0.751524 Br\n0.751523 0.751524 0.248476 Br\n",
"nsites": 10,
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"elements": [
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],
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"volume": 312.4486971127566,
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"formula_full": "Rb2 Ag1 Au1 Br6",
"formula_reduced": "Rb2AgAuBr6",
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"spacegroup": 225
},
{
"id": "jvasp-99475",
"created_at": "2022-09-04T14:36:08.255898Z",
"updated_at": "2022-09-04T14:36:08.255910Z",
"structure_string": "Rb2 Ag1 As1 F6\n1.0\n5.454604 -0.000000 3.149217\n1.818201 5.142650 3.149217\n-0.000000 -0.000000 6.298434\nRb Ag As F\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 As\n0.768190 0.231810 0.231810 F\n0.231809 0.231810 0.768190 F\n0.231809 0.768191 0.768191 F\n0.231809 0.768191 0.231810 F\n0.768190 0.231810 0.768191 F\n0.768190 0.768191 0.231810 F\n",
"nsites": 10,
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"elements": [
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"As",
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],
"chemical_system": "Ag-As-F-Rb",
"density": 4.3959058166920135,
"density_atomic": 0.05660010313581132,
"volume": 176.6781232890179,
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"formula_full": "Rb2 Ag1 As1 F6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
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{
"id": "jvasp-107839",
"created_at": "2022-09-04T14:36:35.120303Z",
"updated_at": "2022-09-04T14:36:35.120321Z",
"structure_string": "Rb2 Ag1 As1 Cl6\n1.0\n6.323946 -0.000000 3.651132\n2.107982 5.962274 3.651132\n-0.000000 -0.000000 7.302264\nRb Ag As Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.499999 Ag\n0.000000 0.000000 0.000000 As\n0.756778 0.243223 0.243222 Cl\n0.243223 0.243223 0.756777 Cl\n0.243223 0.756777 0.756777 Cl\n0.243223 0.756777 0.243222 Cl\n0.756778 0.243223 0.756776 Cl\n0.756778 0.756777 0.243222 Cl\n",
"nsites": 10,
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"elements": [
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"As",
"Cl"
],
"chemical_system": "Ag-As-Cl-Rb",
"density": 3.4162371024640605,
"density_atomic": 0.0363197112150706,
"volume": 275.33258568010234,
"volume_molar": 16.580915867803366,
"formula_full": "Rb2 Ag1 As1 Cl6",
"formula_reduced": "Rb2AgAsCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-100114",
"created_at": "2022-09-04T14:36:56.358320Z",
"updated_at": "2022-09-04T14:36:56.358338Z",
"structure_string": "Rb2 Ag1 As1 Br6\n1.0\n6.651834 -0.000000 3.840438\n2.217278 6.271410 3.840438\n0.000000 -0.000000 7.680877\nRb Ag As Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 As\n0.754718 0.245282 0.245282 Br\n0.245282 0.245282 0.754718 Br\n0.245282 0.754718 0.754719 Br\n0.245282 0.754718 0.245282 Br\n0.754718 0.245282 0.754719 Br\n0.754718 0.754718 0.245282 Br\n",
"nsites": 10,
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"elements": [
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"Br"
],
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"density": 4.317721001825627,
"density_atomic": 0.031209196867197947,
"volume": 320.41837034615844,
"volume_molar": 19.296045283143762,
"formula_full": "Rb2 Ag1 As1 Br6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-91636",
"created_at": "2022-09-04T14:35:45.731201Z",
"updated_at": "2022-09-04T14:35:45.731217Z",
"structure_string": "Pt1 N4 Cl2 O1\n1.0\n-0.000000 0.000000 3.041496\n5.747749 0.000000 -0.000000\n0.000000 5.747749 0.000000\nPt N Cl O\n1 4 2 1\ndirect\n0.000000 0.000000 0.000000 Pt\n0.000000 0.239015 0.239015 N\n0.000000 0.760985 0.760985 N\n0.000000 0.760985 0.239015 N\n0.000000 0.239015 0.760985 N\n0.500001 0.000000 0.500000 Cl\n0.500001 0.500000 0.000000 Cl\n0.500001 0.500000 0.500000 O\n",
"nsites": 8,
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"elements": [
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"volume": 100.48074322505926,
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"formula_full": "Pt1 N4 Cl2 O1",
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"spacegroup": 123
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{
"id": "jvasp-116549",
"created_at": "2022-09-04T14:38:43.874083Z",
"updated_at": "2022-09-04T14:38:43.874111Z",
"structure_string": "Pt2 N8 Cl8 O4\n1.0\n7.915230 -0.000000 0.000000\n0.000000 7.617795 0.013488\n-0.000000 -0.657092 7.833582\nPt N Cl O\n2 8 8 4\ndirect\n0.500000 0.000000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.488175 0.183392 0.346476 N\n-0.011825 0.816608 0.153524 N\n0.511825 0.816608 0.653524 N\n0.011825 0.183392 0.846476 N\n0.483724 0.285880 0.253279 N\n0.983724 0.714120 0.246721 N\n0.516276 0.714120 0.746721 N\n0.016276 0.285880 0.753279 N\n0.710939 0.481031 0.009898 Cl\n0.210939 0.518968 0.490102 Cl\n0.289061 0.518968 -0.009898 Cl\n0.789061 0.481032 0.509898 Cl\n0.792146 0.022414 0.500048 Cl\n0.207855 -0.022414 0.499952 Cl\n0.292145 -0.022414 -0.000048 Cl\n0.707855 0.022414 0.000048 Cl\n0.677944 0.582598 0.382144 O\n0.322056 0.417401 0.617856 O\n0.822056 0.582598 0.882144 O\n0.177944 0.417401 0.117856 O\n",
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{
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"created_at": "2022-09-04T14:35:59.025824Z",
"updated_at": "2022-09-04T14:35:59.025838Z",
"structure_string": "Pt4 C4 I8 O4\n1.0\n6.659706 -0.018218 -1.765702\n-1.569213 6.567447 -1.369646\n0.026379 0.151458 12.899424\nPt C I O\n4 4 8 4\ndirect\n0.811098 0.092079 0.080046 Pt\n0.188903 0.907921 0.919954 Pt\n0.512034 0.731052 0.419954 Pt\n0.487967 0.268948 0.580046 Pt\n0.702721 0.571202 0.411985 C\n0.659217 0.290736 0.088015 C\n0.340784 0.709265 0.911985 C\n0.297280 0.428799 0.588015 C\n0.771520 0.050058 0.576207 I\n0.973852 0.195313 0.923793 I\n0.339559 0.048091 0.770699 I\n0.777393 0.568859 0.729301 I\n0.228481 0.949942 0.423793 I\n0.660443 0.951909 0.229301 I\n0.222609 0.431141 0.270699 I\n0.026150 0.804688 0.076207 I\n0.566703 0.414193 0.096220 O\n0.433299 0.585808 0.903779 O\n0.182028 0.529519 0.596220 O\n0.817973 0.470482 0.403780 O\n",
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{
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"structure_string": "Pr2 Zn2 Sb2 O2\n1.0\n4.214562 0.000000 0.000000\n0.000000 4.214562 0.000000\n0.000000 0.000000 9.598576\nPr Zn Sb O\n2 2 2 2\ndirect\n0.000000 0.500000 0.118965 Pr\n0.500000 0.000000 0.881036 Pr\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.500000 Zn\n0.000000 0.500000 0.683498 Sb\n0.500000 0.000000 0.316502 Sb\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.000000 O\n",
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},
{
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"created_at": "2022-09-04T14:36:17.235041Z",
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"structure_string": "Pr2 Zn2 P2 O2\n1.0\n3.957608 0.003619 9.977058\n1.909492 3.466483 9.977058\n0.006119 0.003619 10.733327\nPr Zn P O\n2 2 2 2\ndirect\n0.618406 0.618406 0.618406 Pr\n0.381594 0.381594 0.381594 Pr\n0.196376 0.196376 0.196376 Zn\n0.803624 0.803624 0.803624 Zn\n0.114482 0.114482 0.114482 P\n0.885519 0.885518 0.885519 P\n0.694984 0.694984 0.694984 O\n0.305016 0.305016 0.305016 O\n",
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],
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}
]
}