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{
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{
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"structure_string": "Ag4 I12 N8 O4\n1.0\n0.000000 0.000000 -3.029896\n0.000000 -11.328922 0.000000\n-22.951517 0.000000 0.000000\nAg I N O\n4 12 8 4\ndirect\n0.750000 0.322347 0.850734 Ag\n0.750000 0.822347 0.649266 Ag\n0.250000 0.677653 0.149266 Ag\n0.250000 0.177653 0.350734 Ag\n0.750000 0.326837 0.727188 I\n0.750000 0.826837 0.772812 I\n0.250000 0.673163 0.272812 I\n0.250000 0.173163 0.227188 I\n0.750000 0.100509 0.903998 I\n0.750000 0.600509 0.596002 I\n0.250000 0.899491 0.096002 I\n0.250000 0.399491 0.403998 I\n0.250000 0.512437 0.906125 I\n0.250000 0.012437 0.593875 I\n0.750000 0.487563 0.093875 I\n0.750000 0.987563 0.406125 I\n0.250000 0.100718 0.772191 N\n0.250000 0.600718 0.727809 N\n0.750000 0.899282 0.227809 N\n0.750000 0.399282 0.272191 N\n0.750000 0.269788 0.558938 N\n0.750000 0.769788 0.941062 N\n0.250000 0.730212 0.441062 N\n0.250000 0.230212 0.058938 N\n0.250000 0.303069 0.551980 O\n0.250000 0.803069 0.948020 O\n0.750000 0.696931 0.448020 O\n0.750000 0.196931 0.051980 O\n",
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{
"id": "mp-1215062",
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"structure_string": "Ag4 I12 N8\n1.0\n0.000000 -3.390259 0.000000\n-7.606234 0.000000 0.000000\n0.000000 0.000000 -24.770552\nAg I N\n4 12 8\ndirect\n0.750000 0.855775 0.658071 Ag\n0.250000 0.144225 0.341929 Ag\n0.250000 0.644225 0.158071 Ag\n0.750000 0.355775 0.841929 Ag\n0.750000 0.885664 0.393988 I\n0.250000 0.114336 0.606012 I\n0.250000 0.614336 0.893988 I\n0.750000 0.385664 0.106012 I\n0.750000 0.591234 0.569804 I\n0.250000 0.408766 0.430196 I\n0.250000 0.908766 0.069804 I\n0.750000 0.091234 0.930196 I\n0.750000 0.947544 0.774432 I\n0.250000 0.052456 0.225568 I\n0.250000 0.552456 0.274432 I\n0.750000 0.447544 0.725568 I\n0.750000 0.891469 0.210026 N\n0.250000 0.108531 0.789974 N\n0.250000 0.608531 0.710026 N\n0.750000 0.391469 0.289974 N\n0.750000 0.819256 0.030056 N\n0.250000 0.180744 0.969944 N\n0.250000 0.680744 0.530056 N\n0.750000 0.319256 0.469944 N\n",
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{
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"created_at": "2022-09-04T14:47:43.638694Z",
"structure_string": "Ag4 Hg8 P4 O16\n1.0\n6.271685 0.000000 0.000000\n0.000000 8.849293 0.000000\n0.000000 0.000000 9.494392\nAg Hg P O\n4 8 4 16\ndirect\n0.000000 0.528826 0.148846 Ag\n0.000000 0.028826 0.351154 Ag\n0.000000 0.971174 0.648846 Ag\n0.000000 0.471174 0.851154 Ag\n0.213798 0.752975 0.467943 Hg\n0.786202 0.747025 0.967943 Hg\n0.786202 0.252975 0.032057 Hg\n0.786202 0.247025 0.532057 Hg\n0.213798 0.247025 0.532057 Hg\n0.213798 0.252975 0.032057 Hg\n0.213798 0.747025 0.967943 Hg\n0.786202 0.752975 0.467943 Hg\n0.500000 0.456188 0.285906 P\n0.500000 0.543812 0.714094 P\n0.500000 0.043812 0.785906 P\n0.500000 0.956188 0.214094 P\n0.290710 0.048624 0.197281 O\n0.500000 0.116189 0.635775 O\n0.500000 0.828769 0.097884 O\n0.500000 0.171231 0.902116 O\n0.709290 0.451376 0.697281 O\n0.500000 0.328769 0.402116 O\n0.290710 0.951376 0.802719 O\n0.500000 0.883811 0.364225 O\n0.709290 0.951376 0.802719 O\n0.500000 0.616189 0.864225 O\n0.290710 0.548624 0.302719 O\n0.709290 0.048624 0.197281 O\n0.500000 0.383811 0.135775 O\n0.500000 0.671231 0.597884 O\n0.709290 0.548624 0.302719 O\n0.290710 0.451376 0.697281 O\n",
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"formula_full": "Ag4 Hg8 P4 O16",
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{
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"created_at": "2022-09-04T14:45:18.550704Z",
"structure_string": "Ag4 Hg8 N4 O20\n1.0\n6.506371 0.000000 0.000000\n0.000000 6.795196 0.000000\n0.000000 0.000000 13.006129\nAg Hg N O\n4 8 4 20\ndirect\n0.758348 0.750000 0.153053 Ag\n0.741652 0.250000 0.653053 Ag\n0.241652 0.250000 0.846947 Ag\n0.258348 0.750000 0.346947 Ag\n0.797357 0.999998 0.902216 Hg\n0.202643 0.000002 0.097784 Hg\n0.702643 0.000002 0.402216 Hg\n0.297357 0.999998 0.597784 Hg\n0.702643 0.499998 0.402216 Hg\n0.202643 0.499998 0.097784 Hg\n0.297357 0.500002 0.597784 Hg\n0.797357 0.500002 0.902216 Hg\n0.196061 0.250000 0.354865 N\n0.803939 0.750000 0.645135 N\n0.696061 0.250000 0.145135 N\n0.303939 0.750000 0.854865 N\n0.315255 0.250000 0.278634 O\n0.115630 0.250000 0.018514 O\n0.615630 0.250000 0.481486 O\n0.684745 0.750000 0.721366 O\n0.799898 0.750000 0.327039 O\n0.884370 0.750000 0.981486 O\n0.184745 0.750000 0.778634 O\n0.634802 0.088938 0.105084 O\n0.299898 0.750000 0.172961 O\n0.365198 0.911062 0.894916 O\n0.815255 0.250000 0.221366 O\n0.700102 0.250000 0.827039 O\n0.365198 0.588938 0.894916 O\n0.384370 0.750000 0.518514 O\n0.200102 0.250000 0.672961 O\n0.134802 0.411062 0.394916 O\n0.134802 0.088938 0.394916 O\n0.865198 0.588938 0.605084 O\n0.634802 0.411062 0.105084 O\n0.865198 0.911062 0.605084 O\n",
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{
"id": "mp-558188",
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"structure_string": "Ag4 Hg8 As4 O16\n1.0\n6.374609 0.000000 0.000000\n0.000000 8.970243 0.000000\n0.000000 0.000000 9.857010\nAg Hg As O\n4 8 4 16\ndirect\n0.500000 0.029613 0.856294 Ag\n0.500000 0.470387 0.356294 Ag\n0.500000 0.529613 0.643706 Ag\n0.500000 0.970387 0.143706 Ag\n0.288533 0.741911 0.468000 Hg\n0.711467 0.258089 0.532000 Hg\n0.288533 0.241911 0.032000 Hg\n0.288533 0.258089 0.532000 Hg\n0.711467 0.241911 0.032000 Hg\n0.711467 0.758089 0.968000 Hg\n0.288533 0.758089 0.968000 Hg\n0.711467 0.741911 0.468000 Hg\n0.000000 0.962363 0.712399 As\n0.000000 0.462363 0.787601 As\n0.000000 0.037637 0.287601 As\n0.000000 0.537637 0.212400 As\n0.000000 0.675583 0.087301 O\n0.232089 0.440444 0.195998 O\n0.000000 0.883161 0.872526 O\n0.000000 0.383161 0.627474 O\n0.000000 0.324417 0.912699 O\n0.232089 0.559556 0.804002 O\n0.000000 0.116839 0.127474 O\n0.232089 0.940444 0.304002 O\n0.000000 0.616839 0.372526 O\n0.232089 0.059556 0.695998 O\n0.767911 0.059556 0.695998 O\n0.000000 0.175583 0.412699 O\n0.767911 0.440444 0.195998 O\n0.000000 0.824417 0.587301 O\n0.767911 0.559556 0.804002 O\n0.767911 0.940444 0.304002 O\n",
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"spacegroup": 55
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{
"id": "mp-1229184",
"created_at": "2022-09-04T14:42:24.708946Z",
"structure_string": "Ag4 Hg6 P8 Br6\n1.0\n-5.769889 3.331247 5.953456\n-0.177134 -6.226304 5.530314\n5.303570 3.266554 5.530314\nAg Hg P Br\n4 6 8 6\ndirect\n0.512522 0.508485 0.988305 Ag\n0.487478 0.011695 0.491515 Ag\n0.681230 0.658648 0.647775 Ag\n0.318770 0.352225 0.341352 Ag\n0.770032 0.765609 0.133991 Hg\n0.768473 0.129949 0.764669 Hg\n0.118226 0.751696 0.752558 Hg\n0.231527 0.235331 0.870051 Hg\n0.229968 0.866009 0.234391 Hg\n0.881774 0.247442 0.248304 Hg\n0.936468 0.936031 0.935401 P\n0.063532 0.064599 0.063969 P\n0.577960 0.580654 0.253637 P\n0.578685 0.254006 0.580683 P\n0.281872 0.562511 0.561943 P\n0.421315 0.419317 0.745994 P\n0.422040 0.746363 0.419346 P\n0.718128 0.438057 0.437489 P\n0.461104 0.857978 0.851680 Br\n0.857915 0.868930 0.455359 Br\n0.857277 0.460017 0.863313 Br\n0.538896 0.148320 0.142022 Br\n0.142723 0.136687 0.539983 Br\n0.142085 0.544641 0.131070 Br\n",
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"elements": [
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{
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"structure_string": "Ag4 Hg4 Te6 O24\n1.0\n6.306474 0.000000 0.000000\n0.000000 6.580431 0.000000\n0.000000 5.639676 13.387833\nAg Hg Te O\n4 4 6 24\ndirect\n0.867339 0.894627 0.789794 Ag\n0.632661 0.894627 0.289794 Ag\n0.367339 0.105373 0.710206 Ag\n0.132661 0.105373 0.210206 Ag\n0.542032 0.293522 0.400638 Hg\n0.957968 0.293522 0.900638 Hg\n0.042032 0.706478 0.099362 Hg\n0.457968 0.706478 0.599362 Hg\n0.593911 0.409753 0.106696 Te\n0.093911 0.590247 0.393304 Te\n0.406089 0.590247 0.893304 Te\n0.500000 0.000000 0.000000 Te\n0.906089 0.409753 0.606696 Te\n0.000000 0.000000 0.500000 Te\n0.217565 0.000737 0.055763 O\n0.871165 0.117460 0.595000 O\n0.782435 0.999263 0.944237 O\n0.884628 0.399530 0.148126 O\n0.282435 0.000737 0.555763 O\n0.060483 0.290703 0.390952 O\n0.371165 0.882540 0.905000 O\n0.313694 0.451383 0.037624 O\n0.032095 0.263793 0.732749 O\n0.439517 0.290703 0.890952 O\n0.717565 0.999263 0.444237 O\n0.628835 0.117460 0.095000 O\n0.560483 0.709297 0.109048 O\n0.467905 0.263793 0.232749 O\n0.939517 0.709297 0.609048 O\n0.532095 0.736207 0.767251 O\n0.186306 0.451383 0.537624 O\n0.384628 0.600470 0.351874 O\n0.115372 0.600470 0.851874 O\n0.128835 0.882540 0.405000 O\n0.813694 0.548617 0.462376 O\n0.686306 0.548617 0.962376 O\n0.967905 0.736207 0.267251 O\n0.615372 0.399530 0.648126 O\n",
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{
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"elements": [
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"chemical_system": "Ag-Hg-I-S",
"density": 6.2880241129071415,
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"formula_full": "Ag4 Hg4 S4 I4",
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{
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{
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"nelements": 4,
"elements": [
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],
"chemical_system": "Ag-Br-Hg-S",
"density": 6.111590113044165,
"density_atomic": 0.03501662684136063,
"volume": 456.92579335201015,
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"formula_full": "Ag4 Hg4 S4 Br4",
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{
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"structure_string": "Ag4 Hg4 S4 Br1 Cl3\n1.0\n4.538843 0.000000 0.000000\n0.013562 6.980989 0.000000\n0.011766 0.062472 13.284895\nAg Hg S Br Cl\n4 4 4 1 3\ndirect\n0.012024 0.790099 0.457361 Ag\n0.011588 0.211102 0.544301 Ag\n0.987252 0.291745 0.043733 Ag\n0.987558 0.705153 0.949779 Ag\n0.501077 0.627531 0.244061 Hg\n0.504748 0.370571 0.757356 Hg\n0.495424 0.128734 0.262097 Hg\n0.496558 0.871745 0.739496 Hg\n0.509305 0.861151 0.378621 S\n0.509056 0.137599 0.623569 S\n0.489144 0.362789 0.127331 S\n0.491765 0.635538 0.872781 S\n0.004816 0.874179 0.127765 Br\n0.000060 0.133247 0.870030 Cl\n0.999898 0.371000 0.372063 Cl\n0.999726 0.627817 0.629655 Cl\n",
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]
}