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{
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"structure_string": "Ag4 H36 O20\n1.0\n6.480476 0.000000 0.000000\n0.000000 6.788789 0.000000\n0.000000 0.000000 13.059459\nAg H O\n4 36 20\ndirect\n0.990984 0.755407 0.248406 Ag\n0.509016 0.244593 0.748406 Ag\n0.009016 0.255407 0.251594 Ag\n0.490984 0.744593 0.751594 Ag\n0.556964 0.785112 0.049591 H\n0.578368 0.845412 0.451760 H\n0.710104 0.956245 0.013288 H\n0.413963 0.986999 0.936466 H\n0.315846 0.988087 0.396600 H\n0.851680 0.991825 0.831523 H\n0.286740 0.992625 0.106733 H\n0.632062 0.995626 0.205413 H\n0.438373 0.997596 0.556349 H\n0.061627 0.002404 0.056349 H\n0.867938 0.004374 0.705413 H\n0.213260 0.007375 0.606733 H\n0.648320 0.008175 0.331523 H\n0.184154 0.011913 0.896600 H\n0.086037 0.013001 0.436466 H\n0.789896 0.043755 0.513288 H\n0.921632 0.154588 0.951760 H\n0.943036 0.214888 0.549591 H\n0.443036 0.285112 0.450409 H\n0.421632 0.345412 0.048240 H\n0.289896 0.456245 0.486712 H\n0.586037 0.486999 0.563534 H\n0.684154 0.488087 0.103400 H\n0.148320 0.491825 0.668477 H\n0.713260 0.492625 0.393267 H\n0.367938 0.495626 0.294587 H\n0.561627 0.497596 0.943651 H\n0.938373 0.502404 0.443651 H\n0.132062 0.504374 0.794587 H\n0.786740 0.507375 0.893267 H\n0.351680 0.508175 0.168477 H\n0.815846 0.511913 0.603400 H\n0.913963 0.513001 0.063534 H\n0.210104 0.543755 0.986712 H\n0.078368 0.654588 0.548240 H\n0.056964 0.714888 0.950409 H\n0.571891 0.928635 0.048337 O\n0.775034 0.986428 0.763721 O\n0.569606 0.988784 0.450448 O\n0.168826 0.992128 0.373764 O\n0.359844 0.995430 0.623695 O\n0.140156 0.004570 0.123695 O\n0.331174 0.007872 0.873764 O\n0.930394 0.011216 0.950448 O\n0.724966 0.013572 0.263721 O\n0.928109 0.071365 0.548337 O\n0.428109 0.428635 0.451663 O\n0.224966 0.486428 0.736279 O\n0.430394 0.488784 0.049552 O\n0.831174 0.492128 0.126236 O\n0.640156 0.495430 0.876305 O\n0.859844 0.504570 0.376305 O\n0.668826 0.507872 0.626236 O\n0.069606 0.511216 0.549552 O\n0.275034 0.513572 0.236279 O\n0.071891 0.571365 0.951663 O\n",
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"spacegroup": 19
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{
"id": "mp-758523",
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"structure_string": "Ag4 Hg4\n1.0\n5.531463 0.000000 0.000000\n0.000000 5.531463 0.000000\n0.000000 0.000000 5.531463\nAg Hg\n4 4\ndirect\n0.148817 0.351183 0.648817 Ag\n0.351183 0.648817 0.148817 Ag\n0.648817 0.148817 0.351183 Ag\n0.851183 0.851183 0.851183 Ag\n0.154768 0.154768 0.154768 Hg\n0.345232 0.845232 0.654768 Hg\n0.654768 0.345232 0.845232 Hg\n0.845232 0.654768 0.345232 Hg\n",
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"volume": 169.246632081953,
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"formula_full": "Ag4 Hg4",
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"spacegroup": 198
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{
"id": "mp-758433",
"created_at": "2022-09-04T14:46:03.033390Z",
"structure_string": "Ag1 Hg1\n1.0\n3.453205 0.000000 0.000000\n0.000000 3.453205 0.000000\n0.000000 0.000000 3.453205\nAg Hg\n1 1\ndirect\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Hg\n",
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{
"id": "mp-558188",
"created_at": "2022-09-04T14:42:13.522039Z",
"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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"formula_full": "Ag4 Hg8 As4 O16",
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{
"id": "mp-560443",
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"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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{
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"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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"structure_string": "Ag1 Hg3\n1.0\n4.504894 0.000000 0.000000\n0.000000 4.504894 0.000000\n0.000000 0.000000 4.504894\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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{
"id": "mp-567890",
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"volume": 1490.5321132681106,
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"energy": -142.18159086,
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{
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"structure_string": "Ag2 Hg6 Sb2 O12\n1.0\n5.136512 -4.949225 0.000000\n5.136512 4.949225 0.000000\n0.367745 0.000000 7.123437\nAg Hg Sb O\n2 6 2 12\ndirect\n0.250000 0.250000 0.250000 Ag\n0.750000 0.750000 0.750000 Ag\n0.402690 0.750000 0.097310 Hg\n0.097310 0.402690 0.750000 Hg\n0.597310 0.250000 0.902690 Hg\n0.902690 0.597310 0.250000 Hg\n0.750000 0.097310 0.402690 Hg\n0.250000 0.902690 0.597310 Hg\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n0.500886 0.785135 0.496342 O\n0.496342 0.500886 0.785135 O\n0.785135 0.496342 0.500886 O\n0.999114 0.003658 0.714865 O\n0.714865 0.999114 0.003658 O\n0.003658 0.714865 0.999114 O\n0.499114 0.214865 0.503658 O\n0.503658 0.499114 0.214865 O\n0.214865 0.503658 0.499114 O\n0.000886 0.996342 0.285135 O\n0.996342 0.285135 0.000886 O\n0.285135 0.000886 0.996342 O\n",
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{
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"structure_string": "Ag2 Hg2 As2 O8\n1.0\n0.000000 5.507378 6.155960\n3.159824 0.000000 6.155960\n3.159824 5.507378 0.000000\nAg Hg As O\n2 2 2 8\ndirect\n0.686810 0.813190 0.686810 Ag\n0.436810 0.563190 0.436810 Ag\n0.060678 0.439322 0.060678 Hg\n0.810678 0.189322 0.810678 Hg\n0.379023 0.120977 0.379023 As\n0.129023 0.870977 0.129023 As\n0.052758 0.285862 0.500907 O\n0.387352 0.263991 0.557472 O\n0.500907 0.160473 0.052758 O\n0.557472 0.791185 0.387352 O\n0.458815 0.692528 0.986009 O\n0.089527 0.749093 0.964138 O\n0.986009 0.862648 0.458815 O\n0.964138 0.197242 0.089527 O\n",
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],
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"formula_full": "Ag2 Hg2 As2 O8",
"formula_reduced": "AgHgAsO4",
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{
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"volume": 285.0348230558096,
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"formula_full": "Ag2 Hg2 As2 S6",
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{
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"structure_string": "Ag2 Hg2 O4\n1.0\n3.904880 0.000000 0.000000\n0.000000 5.686660 0.000000\n0.000000 1.883706 5.837750\nAg Hg O\n2 2 4\ndirect\n0.500000 0.500000 0.000000 Ag\n0.000000 0.500000 0.500000 Ag\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Hg\n0.703660 0.282590 0.795080 O\n0.296340 0.717410 0.204920 O\n0.796340 0.282590 0.295080 O\n0.203660 0.717410 0.704920 O\n",
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"formula_full": "Ag2 Hg2 O4",
"formula_reduced": "AgHgO2",
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}