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{
"id": "jvasp-103226",
"created_at": "2022-09-04T14:36:55.412382Z",
"updated_at": "2022-09-04T14:36:55.412409Z",
"structure_string": "Ag1 Hg3\n1.0\n4.495178 -0.000000 0.000000\n0.000000 4.495178 -0.000000\n-0.000000 0.000000 4.495178\nAg Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Hg\n0.500000 0.000000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n",
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{
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"structure_string": "Ag2 Hg6 Sb2 O12\n1.0\n7.035411 -0.014655 0.303364\n0.289933 7.029450 0.303364\n-0.015303 -0.014655 7.041931\nAg Hg Sb O\n2 6 2 12\ndirect\n0.750000 0.749999 0.749999 Ag\n0.250000 0.250000 0.250000 Ag\n0.908864 0.249999 0.591135 Hg\n0.591136 0.908863 0.249999 Hg\n0.250000 0.591135 0.908863 Hg\n0.408864 0.091135 0.750000 Hg\n0.750000 0.408863 0.091136 Hg\n0.091136 0.750000 0.408863 Hg\n0.500000 0.499999 0.499999 Sb\n0.000000 0.000000 0.000000 Sb\n0.004745 0.288255 0.991581 O\n0.788255 0.504744 0.491580 O\n0.508419 0.211744 0.495254 O\n0.495255 0.508418 0.211744 O\n0.211745 0.495254 0.508418 O\n0.711745 0.008418 0.995254 O\n0.995254 0.711744 0.008418 O\n0.008419 0.995254 0.711744 O\n0.491581 0.788255 0.504744 O\n0.504745 0.491580 0.788255 O\n0.991581 0.004744 0.288255 O\n0.288255 0.991581 0.004744 O\n",
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"formula_full": "Ag2 Hg6 Sb2 O12",
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"formula_anonymous": "ABC3D6",
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{
"id": "jvasp-112383",
"created_at": "2022-09-04T14:38:40.170870Z",
"updated_at": "2022-09-04T14:38:40.170889Z",
"structure_string": "Ag2 Hg2 As2 O8\n1.0\n6.756439 0.163230 4.529772\n4.592867 5.022784 1.560869\n-0.049446 0.111060 6.090641\nAg Hg As O\n2 2 2 8\ndirect\n0.699728 0.800272 0.699727 Ag\n0.449728 0.550272 0.449727 Ag\n0.055259 0.444741 0.055259 Hg\n0.805259 0.194741 0.805258 Hg\n0.377935 0.122065 0.377935 As\n0.127936 0.872064 0.127934 As\n0.048079 0.291909 0.491581 O\n0.388074 0.262137 0.564345 O\n0.491582 0.168431 0.048078 O\n0.564346 0.785443 0.388073 O\n0.464556 0.685655 0.987863 O\n0.081569 0.758418 0.958091 O\n0.987864 0.861925 0.464555 O\n0.958091 0.201921 0.081568 O\n",
"nsites": 14,
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"elements": [
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"chemical_system": "Ag-As-Hg-O",
"density": 7.269726666121199,
"density_atomic": 0.06850038043867573,
"volume": 204.37842695681607,
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"formula_full": "Ag2 Hg2 As2 O8",
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"formula_anonymous": "ABCD4",
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{
"id": "jvasp-9772",
"created_at": "2022-09-04T14:37:05.746211Z",
"updated_at": "2022-09-04T14:37:05.746234Z",
"structure_string": "Ag2 Hg2 As2 S6\n1.0\n6.461802 0.020222 -1.448880\n-3.587431 5.374536 -1.448880\n-0.019786 -0.037136 7.849230\nAg Hg As S\n2 2 2 6\ndirect\n0.016481 0.992314 0.252504 Ag\n0.992312 0.016480 0.752503 Ag\n0.658826 0.307890 0.228219 Hg\n0.307890 0.658826 0.728219 Hg\n0.323534 0.624226 0.209091 As\n0.624225 0.323534 0.709091 As\n0.972454 0.226824 0.051905 S\n0.226824 0.972455 0.551906 S\n0.815706 0.234209 0.513381 S\n0.566428 0.579906 0.577299 S\n0.579906 0.566429 0.077299 S\n0.234210 0.815707 0.013381 S\n",
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"elements": [
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"density": 5.845378087944873,
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"volume": 272.47260272153403,
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"formula_full": "Ag2 Hg2 As2 S6",
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"spacegroup": 9
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{
"id": "jvasp-36786",
"created_at": "2022-09-04T14:38:03.975760Z",
"updated_at": "2022-09-04T14:38:03.975782Z",
"structure_string": "Ag2 Hg2 O4\n1.0\n3.839508 0.011837 0.076330\n-0.031790 5.543077 0.087928\n-0.386320 -0.134887 5.865534\nAg Hg O\n2 2 4\ndirect\n0.500000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Ag\n-0.000000 -0.000000 0.500000 Hg\n0.000000 0.500000 0.000000 Hg\n0.666790 0.704773 0.795039 O\n0.658549 0.795984 0.295682 O\n0.333211 0.295228 0.204961 O\n0.341451 0.204017 0.704317 O\n",
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"density": 9.042186181804867,
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"formula_full": "Ag2 Hg2 O4",
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"formula_anonymous": "ABC2",
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"spacegroup": 14
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{
"id": "jvasp-36787",
"created_at": "2022-09-04T14:38:00.135799Z",
"updated_at": "2022-09-04T14:38:00.135829Z",
"structure_string": "Ag2 Hg2 O4\n1.0\n0.000000 5.790024 0.042819\n3.685823 0.000000 0.000000\n0.000000 -1.960873 -5.781926\nAg Hg O\n2 2 4\ndirect\n0.500000 0.500000 -0.000000 Ag\n0.500000 0.000000 0.500000 Ag\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Hg\n0.283282 0.685039 0.204105 O\n0.716718 0.314960 0.795895 O\n0.283282 0.814960 0.704106 O\n0.716718 0.185039 0.295895 O\n",
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"density_atomic": 0.06499698490710916,
"volume": 123.0826323933833,
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{
"id": "jvasp-42854",
"created_at": "2022-09-04T14:36:11.089515Z",
"updated_at": "2022-09-04T14:36:11.089540Z",
"structure_string": "Ag1 Hg1 Pd2\n1.0\n-0.000001 3.250592 3.250591\n3.250591 0.000000 3.250591\n3.250591 3.250592 -0.000001\nAg Hg Pd\n1 1 2\ndirect\n0.249999 0.249999 0.249999 Ag\n0.750000 0.750001 0.750000 Hg\n0.499999 0.499999 0.499999 Pd\n0.000000 0.000000 0.000000 Pd\n",
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"formula_full": "Ag1 Hg1 Pd2",
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"spacegroup": 225
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{
"id": "jvasp-57567",
"created_at": "2022-09-04T14:37:20.086020Z",
"updated_at": "2022-09-04T14:37:20.086049Z",
"structure_string": "Ag4 Hg4 S4 Br4\n1.0\n4.662169 0.000000 0.000000\n0.000000 9.797805 0.000000\n0.000000 0.000000 9.487843\nAg Hg S Br\n4 4 4 4\ndirect\n0.000000 0.207013 0.411642 Ag\n0.000000 0.792988 0.588358 Ag\n0.000000 0.207013 0.088358 Ag\n0.000000 0.792988 0.911642 Ag\n0.500000 0.229439 0.750000 Hg\n0.500000 0.770561 0.250000 Hg\n0.500000 0.500000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n0.500000 0.253448 0.003608 S\n0.500000 0.746552 -0.003608 S\n0.500000 0.746552 0.503608 S\n0.500000 0.253448 0.496392 S\n0.000000 0.021812 0.750000 Br\n0.000000 0.517782 0.750000 Br\n0.000000 0.482219 0.250000 Br\n0.000000 0.978188 0.250000 Br\n",
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"elements": [
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"formula_full": "Ag4 Hg4 S4 Br4",
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{
"id": "jvasp-57828",
"created_at": "2022-09-04T14:37:16.232008Z",
"updated_at": "2022-09-04T14:37:16.232025Z",
"structure_string": "Ag4 Hg4 S4 I4\n1.0\n4.639588 0.000000 0.000000\n0.000000 10.236913 -0.000000\n0.000000 0.000000 9.960732\nAg Hg S I\n4 4 4 4\ndirect\n0.000000 0.210652 0.416951 Ag\n0.000000 0.789347 0.916951 Ag\n0.000000 0.789347 0.583048 Ag\n0.000000 0.210652 0.083049 Ag\n0.500000 0.235914 0.750000 Hg\n0.500000 0.500000 0.000000 Hg\n0.500000 0.764086 0.250000 Hg\n0.500000 0.500000 0.500000 Hg\n0.500000 0.261834 0.507424 S\n0.500000 0.738165 0.492575 S\n0.500000 0.261834 0.992575 S\n0.500000 0.738165 0.007425 S\n0.000000 0.526183 0.750000 I\n0.000000 0.987537 0.250000 I\n0.000000 0.473817 0.250000 I\n0.000000 0.012463 0.750000 I\n",
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"formula_full": "Ag4 Hg4 S4 I4",
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{
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"created_at": "2022-09-04T14:37:34.606042Z",
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"structure_string": "Ag4 Hg4 S4 I4\n1.0\n7.174609 0.000000 0.000000\n0.000000 7.721004 0.000000\n0.000000 0.000000 8.570530\nAg Hg S I\n4 4 4 4\ndirect\n0.109770 0.175282 0.394067 Ag\n0.609770 0.324718 0.605933 Ag\n0.390230 0.824718 0.894067 Ag\n0.890230 0.675281 0.105933 Ag\n0.246680 0.274296 0.981947 Hg\n0.253320 0.725703 0.481947 Hg\n0.753320 0.774296 0.518053 Hg\n0.746680 0.225703 0.018053 Hg\n-0.000110 0.362172 0.154692 S\n0.500110 0.637827 0.654692 S\n0.000110 0.862172 0.345308 S\n0.499890 0.137828 0.845308 S\n-0.009474 0.881796 0.852730 I\n0.490526 0.618204 0.147270 I\n0.509474 0.118204 0.352730 I\n0.009474 0.381796 0.647270 I\n",
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{
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"structure_string": "Ag2 H2 O4\n1.0\n-3.277531 -0.055938 -1.200283\n0.115990 0.016918 -5.549758\n-1.609154 -5.274474 -0.708367\nAg H O\n2 2 4\ndirect\n0.842213 0.172047 0.997969 Ag\n0.843405 0.673758 0.496808 Ag\n0.273683 0.700090 0.024013 H\n0.831581 0.643664 0.968480 H\n0.966302 0.796554 0.120966 O\n0.186072 0.231356 0.375411 O\n0.726225 0.546603 0.871404 O\n0.183904 0.050981 0.555897 O\n",
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{
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"created_at": "2022-09-04T14:37:06.682425Z",
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"structure_string": "Ag2 I2\n1.0\n2.313621 -4.007309 -0.000000\n2.313621 4.007309 0.000000\n0.000000 -0.000000 7.616088\nAg I\n2 2\ndirect\n0.666667 0.333333 0.996360 Ag\n0.333333 0.666667 0.496360 Ag\n0.666667 0.333333 0.623740 I\n0.333333 0.666667 0.123740 I\n",
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]
}