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{
"id": "jvasp-112867",
"created_at": "2022-09-04T14:38:42.814698Z",
"updated_at": "2022-09-04T14:38:42.814721Z",
"structure_string": "Ag2 H6 Br2 N2\n1.0\n5.884654 -0.000000 0.000000\n0.000000 4.212099 0.507468\n-0.000000 -0.105519 6.719163\nAg H Br N\n2 6 2 2\ndirect\n0.749999 0.342579 0.028909 Ag\n0.250000 0.657421 0.971091 Ag\n0.749999 0.381326 0.432013 H\n0.250000 0.618674 0.567987 H\n0.890778 0.692307 0.322374 H\n0.390778 0.307692 0.677626 H\n0.109221 0.307692 0.677626 H\n0.609221 0.692307 0.322374 H\n0.749999 0.979848 0.750205 Br\n0.250000 0.020151 0.249795 Br\n0.749999 0.551970 0.311770 N\n0.250000 0.448030 0.688229 N\n",
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{
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"structure_string": "Ag2 Hg1 I4\n1.0\n6.403211 0.000000 0.000000\n0.000000 6.403211 0.000000\n0.000000 0.000000 6.386119\nAg Hg I\n2 1 4\ndirect\n0.000000 0.500000 0.500000 Ag\n0.500000 0.000000 0.500000 Ag\n0.000000 0.000000 0.000000 Hg\n0.729512 0.729512 0.233517 I\n0.270488 0.729512 0.766483 I\n0.270488 0.270488 0.233517 I\n0.729512 0.270488 0.766483 I\n",
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{
"id": "jvasp-3681",
"created_at": "2022-09-04T14:36:10.985249Z",
"updated_at": "2022-09-04T14:36:10.985273Z",
"structure_string": "Ag2 Hg1 I4\n1.0\n5.829567 0.000001 -2.612618\n-1.170888 5.710769 -2.612617\n-0.005083 -0.006233 7.798761\nAg Hg I\n2 1 4\ndirect\n0.250000 0.750000 0.500000 Ag\n0.500000 0.500000 -0.000000 Ag\n0.000000 0.000000 0.000000 Hg\n0.863315 0.905900 0.272232 I\n0.094101 0.591082 0.727767 I\n0.408919 0.366333 0.272233 I\n0.633667 0.136686 0.727767 I\n",
"nsites": 7,
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"density": 5.9136555474763774,
"density_atomic": 0.026981071074713783,
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"formula_full": "Ag2 Hg1 I4",
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"formula_anonymous": "AB2C4",
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"spacegroup": 82
},
{
"id": "jvasp-106853",
"created_at": "2022-09-04T14:36:49.752362Z",
"updated_at": "2022-09-04T14:36:49.752388Z",
"structure_string": "Ag2 Hg1 I4\n1.0\n5.850075 0.020622 -5.210794\n-1.163074 5.733329 -5.210794\n-0.016798 -0.020622 7.834249\nAg Hg I\n2 1 4\ndirect\n0.749999 0.250000 0.500000 Ag\n0.250000 0.750000 0.500001 Ag\n0.500000 0.500000 0.000000 Hg\n0.343597 0.889240 0.000001 I\n0.110760 0.110761 0.454357 I\n0.889239 0.343596 0.000000 I\n0.656403 0.656403 0.545643 I\n",
"nsites": 7,
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"elements": [
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"density": 5.862653826361912,
"density_atomic": 0.026748375570000232,
"volume": 261.6981349645353,
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"formula_full": "Ag2 Hg1 I4",
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"spacegroup": 121
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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,
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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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"S"
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"chemical_system": "Ag-As-Hg-S",
"density": 5.845378087944873,
"density_atomic": 0.04404112516319285,
"volume": 272.47260272153403,
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"formula_full": "Ag2 Hg2 As2 S6",
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"formula_anonymous": "ABCD3",
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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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"volume": 125.04545640412614,
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"formula_full": "Ag2 Hg2 O4",
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"formula_anonymous": "ABC2",
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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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"formula_full": "Ag2 Hg2 O4",
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"spacegroup": 14
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{
"id": "jvasp-45308",
"created_at": "2022-09-04T14:38:28.962715Z",
"updated_at": "2022-09-04T14:38:28.962744Z",
"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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{
"id": "jvasp-54971",
"created_at": "2022-09-04T14:38:32.454700Z",
"updated_at": "2022-09-04T14:38:32.454722Z",
"structure_string": "Ag2 Hg7 P8 Br6\n1.0\n8.143216 0.007057 1.193149\n1.062277 8.357875 1.366722\n0.019183 0.004692 8.535223\nAg Hg P Br\n2 7 8 6\ndirect\n0.500000 0.000000 0.500000 Ag\n0.500000 0.500000 -0.000000 Ag\n0.236957 0.733313 0.369286 Hg\n0.129820 0.272267 0.272267 Hg\n0.236957 0.369287 0.733312 Hg\n0.763043 0.266688 0.630713 Hg\n0.000000 0.000000 0.000000 Hg\n0.870181 0.727734 0.727733 Hg\n0.763044 0.630714 0.266687 Hg\n0.931584 0.436738 0.436737 P\n0.425899 0.925101 0.238594 P\n0.574102 0.074900 0.761405 P\n0.255247 0.085853 0.085853 P\n0.068416 0.563263 0.563262 P\n0.744754 0.914148 0.914147 P\n0.574102 0.761406 0.074899 P\n0.425899 0.238595 0.925100 P\n0.849815 0.954504 0.364339 Br\n0.150186 0.635661 0.045497 Br\n0.460310 0.354778 0.354777 Br\n0.539690 0.645223 0.645222 Br\n0.150185 0.045497 0.635660 Br\n0.849815 0.364340 0.954503 Br\n",
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"elements": [
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],
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"density": 6.712676981972326,
"density_atomic": 0.039613799873007956,
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"formula_full": "Ag2 Hg7 P8 Br6",
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{
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"created_at": "2022-09-04T14:38:34.804381Z",
"updated_at": "2022-09-04T14:38:34.804402Z",
"structure_string": "Ag2 Hg7 P8 I6\n1.0\n8.403794 0.003253 1.383295\n1.196005 8.474076 1.507388\n0.017036 0.000602 8.689782\nAg Hg P I\n2 7 8 6\ndirect\n0.500000 -0.000000 0.500000 Ag\n0.500000 0.500000 -0.000000 Ag\n0.235012 0.730640 0.366275 Hg\n0.869263 0.728879 0.728878 Hg\n0.764989 0.269360 0.633724 Hg\n0.130737 0.271121 0.271121 Hg\n0.764989 0.633724 0.269360 Hg\n0.000000 0.000000 0.000000 Hg\n0.235012 0.366276 0.730639 Hg\n0.741378 0.915239 0.915238 P\n0.577890 0.078273 0.761549 P\n0.422111 0.238450 0.921726 P\n0.577890 0.761550 0.078273 P\n0.065596 0.562140 0.562139 P\n0.934404 0.437860 0.437860 P\n0.422111 0.921727 0.238450 P\n0.258622 0.084761 0.084761 P\n0.150767 0.034763 0.639181 I\n0.849234 0.360818 0.965236 I\n0.533756 0.646466 0.646466 I\n0.150767 0.639182 0.034763 I\n0.849234 0.965237 0.360818 I\n0.466245 0.353534 0.353534 I\n",
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"elements": [
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],
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"density": 7.057409413708405,
"density_atomic": 0.03718088319475432,
"volume": 618.5974625596027,
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"formula_full": "Ag2 Hg7 P8 I6",
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{
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"created_at": "2022-09-04T14:35:41.053752Z",
"updated_at": "2022-09-04T14:35:41.053769Z",
"structure_string": "Ag2 I1 O6\n1.0\n5.140165 0.371837 2.649093\n1.774418 4.838491 2.649093\n0.493461 0.371837 5.761553\nAg I O\n2 1 6\ndirect\n0.788376 0.788378 0.788376 Ag\n0.211622 0.211623 0.211622 Ag\n0.000000 0.000000 0.000000 I\n0.909469 0.195742 0.651907 O\n0.651908 0.909471 0.195740 O\n0.195740 0.651909 0.909469 O\n0.090530 0.804260 0.348091 O\n0.348091 0.090530 0.804259 O\n0.804259 0.348092 0.090529 O\n",
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],
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"volume": 130.33780081052504,
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"formula_full": "Ag2 I1 O6",
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"formula_anonymous": "AB2C6",
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"spacegroup": 148
}
]
}