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{
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{
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{
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"structure_string": "Mn2 N12 O32\n1.0\n7.299985 0.000000 0.000000\n0.000000 9.071974 0.000000\n0.000000 6.427388 10.539995\nMn N O\n2 12 32\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.723723 0.385188 0.910108 N\n0.776277 0.385188 0.410108 N\n0.276277 0.614812 0.089892 N\n0.223723 0.614812 0.589892 N\n0.536476 0.376907 0.917151 N\n0.963524 0.376907 0.417151 N\n0.463524 0.623093 0.082849 N\n0.036476 0.623093 0.582849 N\n0.789446 0.548668 0.855064 N\n0.710554 0.548668 0.355064 N\n0.210554 0.451332 0.144936 N\n0.289446 0.451332 0.644936 N\n0.109083 0.159165 0.057169 O\n0.390917 0.159165 0.557169 O\n0.890917 0.840835 0.942831 O\n0.609083 0.840835 0.442831 O\n0.139240 0.002337 0.148015 O\n0.360760 0.002337 0.648015 O\n0.860760 0.997663 0.851985 O\n0.639240 0.997663 0.351985 O\n0.799072 0.001403 0.067949 O\n0.700928 0.001403 0.567949 O\n0.200928 0.998597 0.932051 O\n0.299072 0.998597 0.432051 O\n0.433967 0.844121 0.278974 O\n0.066033 0.844121 0.778974 O\n0.566033 0.155879 0.721026 O\n0.933967 0.155879 0.221026 O\n0.470193 0.229924 0.966150 O\n0.029807 0.229924 0.466150 O\n0.529807 0.770076 0.033850 O\n0.970193 0.770076 0.533850 O\n0.432120 0.506782 0.877569 O\n0.067880 0.506782 0.377569 O\n0.567880 0.493218 0.122431 O\n0.932120 0.493218 0.622431 O\n0.961188 0.558154 0.848905 O\n0.538812 0.558154 0.348905 O\n0.038812 0.441846 0.151095 O\n0.461188 0.441846 0.651095 O\n0.693008 0.682566 0.812389 O\n0.806992 0.682566 0.312389 O\n0.306992 0.317434 0.187611 O\n0.193008 0.317434 0.687611 O\n",
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"formula_full": "Mn2 N12 O32",
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},
{
"id": "mp-708034",
"created_at": "2022-09-04T14:46:17.034671Z",
"structure_string": "H26 Se4 N6 O16\n1.0\n3.355719 5.508074 0.000000\n-3.355719 5.508074 0.000000\n0.000000 5.165370 16.304108\nH Se N O\n26 4 6 16\ndirect\n0.132944 0.424188 0.125562 H\n0.424188 0.132944 0.625562 H\n0.355534 0.507190 0.006666 H\n0.507190 0.355534 0.506666 H\n0.598639 0.448356 0.863559 H\n0.448356 0.598639 0.363559 H\n0.770579 0.456793 0.780590 H\n0.456793 0.770579 0.280590 H\n0.238632 0.134997 0.343303 H\n0.134997 0.238632 0.843303 H\n0.394636 0.276837 0.351869 H\n0.276836 0.394636 0.851869 H\n0.283965 0.328503 0.262757 H\n0.328503 0.283965 0.762757 H\n0.092940 0.433953 0.346472 H\n0.433953 0.092940 0.846472 H\n0.772812 0.785615 0.699928 H\n0.785615 0.772812 0.199928 H\n0.873349 0.599474 0.635504 H\n0.599474 0.873349 0.135504 H\n0.735802 0.689018 0.915525 H\n0.689018 0.735802 0.415525 H\n0.588380 0.702502 0.676463 H\n0.702502 0.588380 0.176463 H\n0.968255 0.100493 0.007287 H\n0.100493 0.968255 0.507287 H\n0.860327 0.007947 0.390002 Se\n0.007947 0.860327 0.890002 Se\n0.031752 0.113397 0.130610 Se\n0.113397 0.031752 0.630610 Se\n0.428276 0.604544 0.023477 N\n0.604544 0.428276 0.523477 N\n0.247322 0.296957 0.325610 N\n0.296957 0.247322 0.825610 N\n0.757548 0.646787 0.687586 N\n0.646787 0.757548 0.187586 N\n0.907780 0.923294 0.488388 O\n0.923294 0.907780 0.988388 O\n0.812045 0.763715 0.371769 O\n0.763715 0.812045 0.871769 O\n0.583891 0.233043 0.397269 O\n0.233043 0.583891 0.897269 O\n0.361637 0.762039 0.337906 O\n0.762039 0.361637 0.837906 O\n0.005544 0.222151 0.025283 O\n0.222151 0.005544 0.525283 O\n0.215320 0.251992 0.139212 O\n0.251992 0.215320 0.639212 O\n0.764758 0.267885 0.176938 O\n0.267885 0.764758 0.676938 O\n0.347454 0.633788 0.094807 O\n0.633788 0.347454 0.594807 O\n",
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"formula_full": "H26 Se4 N6 O16",
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{
"id": "mp-1194454",
"created_at": "2022-09-04T14:42:13.163187Z",
"structure_string": "Si2 N8 O6 F12\n1.0\n2.908137 -5.037041 0.000000\n2.908137 5.037041 0.000000\n0.000000 0.000000 14.846472\nSi N O F\n2 8 6 12\ndirect\n0.000000 0.000000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.333333 0.666667 0.408631 N\n0.666667 0.333333 0.591369 N\n0.666667 0.333333 0.908631 N\n0.333333 0.666667 0.091369 N\n0.000000 0.000000 0.250000 N\n0.000000 0.000000 0.750000 N\n0.333333 0.666667 0.750000 N\n0.666667 0.333333 0.250000 N\n0.543110 0.456890 0.250000 O\n0.543110 0.086219 0.250000 O\n0.913781 0.456890 0.250000 O\n0.456890 0.543110 0.750000 O\n0.456890 0.913781 0.750000 O\n0.086219 0.543110 0.750000 O\n0.137916 0.862084 0.566882 F\n0.137916 0.275832 0.566882 F\n0.724168 0.862084 0.566882 F\n0.862084 0.137916 0.433118 F\n0.862084 0.724168 0.433118 F\n0.275832 0.137916 0.433118 F\n0.862084 0.137916 0.066882 F\n0.862084 0.724168 0.066882 F\n0.275832 0.137916 0.066882 F\n0.137916 0.862084 0.933118 F\n0.137916 0.275832 0.933118 F\n0.724168 0.862084 0.933118 F\n",
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{
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"structure_string": "K2 B2 C8 O16\n1.0\n4.261987 -5.563226 0.000000\n4.261987 5.563226 0.000000\n0.000000 0.000000 8.422156\nK B C O\n2 2 8 16\ndirect\n0.928470 0.071530 0.750000 K\n0.071530 0.928470 0.250000 K\n0.571762 0.428238 0.250000 B\n0.428238 0.571762 0.750000 B\n0.766525 0.233475 0.158346 C\n0.714024 0.466954 0.750000 C\n0.285976 0.533046 0.250000 C\n0.533046 0.285976 0.750000 C\n0.233475 0.766525 0.658346 C\n0.466954 0.714024 0.250000 C\n0.766525 0.233475 0.341654 C\n0.233475 0.766525 0.841654 C\n0.652417 0.347583 0.109785 O\n0.855149 0.144851 0.073300 O\n0.144851 0.855149 0.926700 O\n0.347583 0.652417 0.890215 O\n0.885892 0.460455 0.750000 O\n0.629695 0.648406 0.250000 O\n0.347583 0.652417 0.609785 O\n0.460455 0.885892 0.250000 O\n0.144851 0.855149 0.573300 O\n0.370305 0.351594 0.750000 O\n0.114108 0.539545 0.250000 O\n0.539545 0.114108 0.750000 O\n0.648406 0.629695 0.750000 O\n0.351594 0.370305 0.250000 O\n0.855149 0.144851 0.426700 O\n0.652417 0.347583 0.390215 O\n",
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{
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"structure_string": "C16 S8 Cl8 O32 F24\n1.0\n25.709219 0.000000 0.000000\n0.000000 7.692044 0.000000\n0.000000 6.454133 7.599105\nC S Cl O F\n16 8 8 32 24\ndirect\n0.990780 0.916930 0.325135 C\n0.261979 0.060386 0.586721 C\n0.663747 0.265187 0.900608 C\n0.093394 0.405771 0.139219 C\n0.593394 0.594229 0.360781 C\n0.163747 0.734813 0.599392 C\n0.906606 0.594229 0.860781 C\n0.336253 0.734813 0.099392 C\n0.836253 0.265187 0.400608 C\n0.406606 0.405771 0.639219 C\n0.509220 0.916930 0.825135 C\n0.490780 0.083070 0.174865 C\n0.009220 0.083070 0.674865 C\n0.238021 0.060386 0.086721 C\n0.761979 0.939614 0.913279 C\n0.738021 0.939614 0.413279 C\n0.790012 0.127305 0.242475 S\n0.290012 0.872695 0.257525 S\n0.709988 0.127305 0.742475 S\n0.535906 0.871582 0.364782 S\n0.035906 0.128418 0.135218 S\n0.209988 0.872695 0.757525 S\n0.964094 0.871582 0.864782 S\n0.464094 0.128418 0.635218 S\n0.851225 0.522304 0.347145 Cl\n0.148775 0.477696 0.652855 Cl\n0.609144 0.519191 0.236206 Cl\n0.648775 0.522304 0.847145 Cl\n0.890856 0.519191 0.736206 Cl\n0.351225 0.477696 0.152855 Cl\n0.390856 0.480809 0.763794 Cl\n0.109144 0.480809 0.263794 Cl\n0.264720 0.735619 0.424775 O\n0.665179 0.990723 0.784308 O\n0.888595 0.512671 0.001667 O\n0.422871 0.005830 0.633028 O\n0.556308 0.764457 0.271280 O\n0.922871 0.994170 0.866972 O\n0.699113 0.310604 0.775304 O\n0.334821 0.009277 0.215692 O\n0.995365 0.706289 0.015409 O\n0.056308 0.235543 0.228720 O\n0.199113 0.689396 0.724696 O\n0.352755 0.917502 0.976149 O\n0.165179 0.009277 0.715692 O\n0.852755 0.082498 0.523851 O\n0.300887 0.689396 0.224696 O\n0.735280 0.264381 0.575225 O\n0.147245 0.917502 0.476149 O\n0.004635 0.293711 0.984591 O\n0.504635 0.706289 0.515409 O\n0.647245 0.082498 0.023851 O\n0.764720 0.264381 0.075225 O\n0.495365 0.293711 0.484591 O\n0.388595 0.487329 0.498333 O\n0.834821 0.990723 0.284308 O\n0.235280 0.735619 0.924775 O\n0.611405 0.512671 0.501667 O\n0.577129 0.994170 0.366972 O\n0.443692 0.235543 0.728720 O\n0.077129 0.005830 0.133028 O\n0.943692 0.764457 0.771280 O\n0.800887 0.310604 0.275304 O\n0.111405 0.487329 0.998333 O\n0.956560 0.026760 0.348339 F\n0.776661 0.792321 0.890594 F\n0.197416 0.932350 0.112646 F\n0.543440 0.026760 0.848339 F\n0.981851 0.233725 0.526882 F\n0.223339 0.207679 0.109406 F\n0.276661 0.207679 0.609406 F\n0.043440 0.973240 0.651661 F\n0.302584 0.932350 0.612646 F\n0.742860 0.824740 0.076115 F\n0.802584 0.067650 0.887354 F\n0.034348 0.192267 0.719956 F\n0.481851 0.766275 0.973118 F\n0.242860 0.175260 0.423885 F\n0.534348 0.807733 0.780044 F\n0.723339 0.792321 0.390594 F\n0.465652 0.192267 0.219956 F\n0.757140 0.824740 0.576115 F\n0.018149 0.766275 0.473118 F\n0.257140 0.175260 0.923885 F\n0.965652 0.807733 0.280044 F\n0.697416 0.067650 0.387354 F\n0.456560 0.973240 0.151661 F\n0.518149 0.233725 0.026882 F\n",
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{
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