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{
"id": "jvasp-29470",
"created_at": "2022-09-04T14:37:57.407503Z",
"updated_at": "2022-09-04T14:37:57.407523Z",
"structure_string": "Ag2 Pb2 Br2 O2\n1.0\n3.993220 0.000000 0.000000\n-0.000000 3.993220 0.000000\n-0.000000 -0.000000 13.423862\nAg Pb Br O\n2 2 2 2\ndirect\n0.250000 0.250000 0.405119 Ag\n0.750000 0.750000 0.594881 Ag\n0.750000 0.750000 0.090772 Pb\n0.250000 0.250000 0.909228 Pb\n0.750000 0.750000 0.380755 Br\n0.250000 0.250000 0.619245 Br\n0.750000 0.250000 0.000000 O\n0.250000 0.750000 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:38:04.333633Z",
"updated_at": "2022-09-04T14:38:04.333654Z",
"structure_string": "Ag2 Pb8 Cl2 O8\n1.0\n6.345376 0.000000 -0.000000\n-0.000000 8.285338 0.000002\n0.000000 -0.000002 8.285338\nAg Pb Cl O\n2 8 2 8\ndirect\n0.914311 0.750000 0.750000 Ag\n0.085690 0.250000 0.250000 Ag\n0.234295 0.602955 0.062221 Pb\n0.765706 0.937779 0.102955 Pb\n0.765706 0.562221 0.397045 Pb\n0.765706 0.397045 0.937779 Pb\n0.234295 0.062221 0.897045 Pb\n0.234295 0.437779 0.602955 Pb\n0.234295 0.897045 0.437779 Pb\n0.765706 0.102955 0.562221 Pb\n0.488862 0.250000 0.250000 Cl\n0.511139 0.750000 0.750000 Cl\n0.919714 0.993507 0.340774 O\n0.080286 0.840774 0.006493 O\n0.080286 0.006493 0.659226 O\n0.080286 0.659226 0.493507 O\n0.080286 0.493507 0.840774 O\n0.919714 0.506493 0.159226 O\n0.919714 0.340774 0.506493 O\n0.919714 0.159226 0.993507 O\n",
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"density_atomic": 0.04591474468884653,
"volume": 435.5899207440946,
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"formula_full": "Ag2 Pb8 Cl2 O8",
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"formula_anonymous": "ABC4D4",
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{
"id": "jvasp-109021",
"created_at": "2022-09-04T14:37:47.441738Z",
"updated_at": "2022-09-04T14:37:47.441761Z",
"structure_string": "Ag1 Pb3\n1.0\n4.454591 0.134452 -3.961734\n-0.810709 4.382261 -3.961734\n-0.108470 -0.134452 5.960449\nAg Pb\n1 3\ndirect\n0.000000 0.000000 0.000000 Ag\n0.750000 0.250000 0.500000 Pb\n0.250000 0.750000 0.500001 Pb\n0.500000 0.500000 0.000000 Pb\n",
"nsites": 4,
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"elements": [
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"density_atomic": 0.03559521366186214,
"volume": 112.3746590763052,
"volume_molar": 16.918400370363038,
"formula_full": "Ag1 Pb3",
"formula_reduced": "AgPb3",
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"spacegroup": 139
},
{
"id": "jvasp-38015",
"created_at": "2022-09-04T14:38:34.934140Z",
"updated_at": "2022-09-04T14:38:34.934154Z",
"structure_string": "Ag2 Pb6\n1.0\n3.403433 -5.894919 -0.000000\n3.403433 5.894919 0.000000\n0.000000 0.000000 5.575707\nAg Pb\n2 6\ndirect\n0.333333 0.666667 0.750000 Ag\n0.666667 0.333333 0.250000 Ag\n0.658078 0.829039 0.250000 Pb\n0.170960 0.829039 0.250000 Pb\n0.170961 0.341921 0.250000 Pb\n0.341921 0.170961 0.750000 Pb\n0.829039 0.170960 0.750000 Pb\n0.829039 0.658078 0.750000 Pb\n",
"nsites": 8,
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"elements": [
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"chemical_system": "Ag-Pb",
"density": 10.828304762106072,
"density_atomic": 0.035757323207298755,
"volume": 223.73039373280176,
"volume_molar": 16.841699041864427,
"formula_full": "Ag2 Pb6",
"formula_reduced": "AgPb3",
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"spacegroup": 194
},
{
"id": "jvasp-54582",
"created_at": "2022-09-04T14:38:13.173753Z",
"updated_at": "2022-09-04T14:38:13.173770Z",
"structure_string": "Ag2 Pb4 Br10\n1.0\n6.555162 0.000000 -2.768974\n-0.319687 7.992132 -0.756812\n-0.038190 0.004227 9.053295\nAg Pb Br\n2 4 10\ndirect\n0.500000 0.000000 0.500000 Ag\n-0.000000 0.500000 0.500000 Ag\n0.870867 0.064270 0.207175 Pb\n0.129132 0.935730 0.792825 Pb\n0.336307 0.564270 0.207175 Pb\n0.663692 0.435730 0.792825 Pb\n0.135808 0.819162 0.443137 Br\n0.925602 0.750000 0.000000 Br\n0.864191 0.180838 0.556863 Br\n0.293489 0.576990 0.825981 Br\n0.532492 0.076990 0.825981 Br\n0.706510 0.423011 0.174019 Br\n0.467507 0.923011 0.174019 Br\n0.692671 0.680838 0.556863 Br\n0.307328 0.319162 0.443137 Br\n0.074397 0.250000 0.000000 Br\n",
"nsites": 16,
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"elements": [
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"chemical_system": "Ag-Br-Pb",
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"formula_full": "Ag2 Pb4 Br10",
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"spacegroup": 15
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{
"id": "jvasp-123549",
"created_at": "2022-09-04T14:38:53.994089Z",
"updated_at": "2022-09-04T14:38:53.994105Z",
"structure_string": "Ag1 P3\n1.0\n3.134854 0.000000 -1.003819\n0.290292 4.106092 0.906560\n0.121642 1.179932 5.776743\nAg P\n1 3\ndirect\n0.374995 0.125038 0.749992 Ag\n0.629065 -0.055457 0.258131 P\n0.120921 0.305442 0.241842 P\n0.875015 0.624975 0.750033 P\n",
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"elements": [
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"density_atomic": 0.05620938819230103,
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"spacegroup": 12
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{
"id": "jvasp-10216",
"created_at": "2022-09-04T14:38:16.033309Z",
"updated_at": "2022-09-04T14:38:16.033331Z",
"structure_string": "Ag4 P8\n1.0\n0.000000 6.238939 0.005247\n5.117905 0.000000 0.000000\n0.000000 -3.133812 -7.257717\nAg P\n4 8\ndirect\n0.141474 0.953114 0.900411 Ag\n0.858527 0.453114 0.599589 Ag\n0.858527 0.046885 0.099589 Ag\n0.141473 0.546885 0.400411 Ag\n0.409736 0.596185 0.082929 P\n0.590264 0.096186 0.417071 P\n0.590264 0.403814 0.917071 P\n0.409737 0.903813 0.582929 P\n0.274488 0.229945 0.699634 P\n0.725513 0.729945 0.800366 P\n0.725513 0.770054 0.300366 P\n0.274488 0.270054 0.199634 P\n",
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"elements": [
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"density": 4.869022019140892,
"density_atomic": 0.05180074368073047,
"volume": 231.65690581511709,
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"formula_full": "Ag4 P8",
"formula_reduced": "AgP2",
"formula_anonymous": "AB2",
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"spacegroup": 14
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{
"id": "jvasp-120884",
"created_at": "2022-09-04T14:38:52.529259Z",
"updated_at": "2022-09-04T14:38:52.529290Z",
"structure_string": "Ag1 O1 F2\n1.0\n-1.671174 3.380930 2.091186\n1.671174 -3.380930 2.091186\n1.671174 3.380930 -2.091186\nAg O F\n1 1 2\ndirect\n0.501673 0.001674 0.500000 Ag\n0.001674 0.501673 0.499998 O\n0.275647 0.501613 0.774033 F\n0.727579 0.501613 0.225966 F\n",
"nsites": 4,
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"formula_full": "Ag1 O1 F2",
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"formula_anonymous": "ABC2",
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"spacegroup": 71
},
{
"id": "jvasp-120885",
"created_at": "2022-09-04T14:38:54.100242Z",
"updated_at": "2022-09-04T14:38:54.100269Z",
"structure_string": "Ag1 O4 F1\n1.0\n0.000000 3.633250 3.633250\n3.633250 0.000000 3.633250\n3.633250 3.633250 0.000000\nAg O F\n1 4 1\ndirect\n0.500000 0.500000 0.500000 Ag\n0.843460 0.843460 0.843460 O\n0.843460 0.469617 0.843460 O\n0.469617 0.843460 0.843460 O\n0.843460 0.843460 0.469617 O\n0.000000 0.000000 0.000000 F\n",
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},
{
"id": "jvasp-30511",
"created_at": "2022-09-04T14:37:14.329197Z",
"updated_at": "2022-09-04T14:37:14.329231Z",
"structure_string": "Ag2 O4 F2\n1.0\n-0.000000 -0.000000 4.922504\n4.618301 0.516599 0.000000\n-0.075982 4.646484 -0.000000\nAg O F\n2 4 2\ndirect\n0.500000 0.283025 0.283025 Ag\n0.000000 0.716975 0.716975 Ag\n0.221172 0.954870 0.230524 O\n0.721171 0.045130 0.769475 O\n0.278828 0.769476 0.045130 O\n0.778828 0.230525 0.954870 O\n0.749999 0.639831 0.360169 F\n0.250000 0.360169 0.639831 F\n",
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{
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"created_at": "2022-09-04T14:37:17.993847Z",
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"structure_string": "Ag2 O4 F2\n1.0\n2.202499 2.979526 1.090538\n3.826485 -2.891051 0.170683\n0.390374 -0.648736 -5.855640\nAg O F\n2 4 2\ndirect\n0.651198 0.761777 0.302397 Ag\n0.348801 0.238222 0.697602 Ag\n0.847420 0.272855 0.023739 O\n0.176319 0.272855 0.023739 O\n0.823681 0.727144 -0.023739 O\n0.152580 0.727144 -0.023739 O\n0.754092 0.240068 0.508182 F\n0.245907 0.759930 0.491817 F\n",
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{
"id": "jvasp-79214",
"created_at": "2022-09-04T14:37:18.154261Z",
"updated_at": "2022-09-04T14:37:18.154281Z",
"structure_string": "Ag2 O2\n1.0\n2.291083 2.273456 -0.397043\n2.291083 -2.273456 -0.397043\n-0.930183 0.000000 -5.507054\nAg O\n2 2\ndirect\n0.500000 0.500000 0.499999 Ag\n0.000000 0.000000 0.000000 Ag\n0.001178 0.498822 0.250000 O\n0.998821 0.501177 0.749999 O\n",
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}