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{
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"results": [
{
"id": "mp-31132",
"created_at": "2022-09-04T14:47:18.915673Z",
"structure_string": "Hg8 O2 F12\n1.0\n3.963395 -6.864802 0.000000\n3.963395 6.864802 0.000000\n0.000000 0.000000 6.168161\nHg O F\n8 2 12\ndirect\n0.635448 0.817724 0.500265 Hg\n0.817724 0.635448 0.000265 Hg\n0.817724 0.182276 0.000265 Hg\n0.182276 0.817724 0.500265 Hg\n0.182276 0.364552 0.500265 Hg\n0.364552 0.182276 0.000265 Hg\n0.333333 0.666667 0.975919 Hg\n0.666667 0.333333 0.475919 Hg\n0.666667 0.333333 0.127666 O\n0.333333 0.666667 0.627666 O\n0.919920 0.459960 0.726649 F\n0.080080 0.540040 0.226649 F\n0.459960 0.540040 0.226649 F\n0.540040 0.080080 0.726649 F\n0.745214 0.872607 0.895524 F\n0.872607 0.745214 0.395524 F\n0.459960 0.919920 0.226649 F\n0.540040 0.459960 0.726649 F\n0.254786 0.127393 0.395524 F\n0.127393 0.254786 0.895524 F\n0.127393 0.872607 0.895524 F\n0.872607 0.127393 0.395524 F\n",
"nsites": 22,
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"elements": [
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"O",
"F"
],
"chemical_system": "F-Hg-O",
"density": 9.225223883770495,
"density_atomic": 0.06554530843497426,
"volume": 335.64568579039656,
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"formula_full": "Hg8 O2 F12",
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"formula_anonymous": "AB4C6",
"energy": -68.75392044,
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"updated_at": "2021-11-28T01:38:00.296000Z",
"spacegroup": 186
},
{
"id": "mp-605752",
"created_at": "2022-09-04T14:47:18.917563Z",
"structure_string": "Hg16 H96 C32 I40 N8\n1.0\n14.260633 0.000000 0.000000\n0.000000 14.784571 0.000000\n0.000000 0.000000 18.576081\nHg H C I N\n16 96 32 40 8\ndirect\n0.219208 0.711524 0.885081 Hg\n0.219208 0.211524 0.614919 Hg\n0.719208 0.788476 0.885081 Hg\n0.924115 0.099936 0.546272 Hg\n0.719208 0.288476 0.614919 Hg\n0.280792 0.711524 0.385081 Hg\n0.924115 0.599936 0.953728 Hg\n0.575885 0.099936 0.046272 Hg\n0.280792 0.211524 0.114919 Hg\n0.424115 0.400064 0.546272 Hg\n0.780792 0.288476 0.114919 Hg\n0.575885 0.599936 0.453728 Hg\n0.424115 0.900064 0.953728 Hg\n0.075885 0.900064 0.453728 Hg\n0.780792 0.788476 0.385081 Hg\n0.075885 0.400064 0.046272 Hg\n0.455633 0.042187 0.299265 H\n0.204274 0.353777 0.390130 H\n0.559288 0.058946 0.245929 H\n0.455633 0.542187 0.200735 H\n0.009840 0.076509 0.952505 H\n0.198899 0.880232 0.204259 H\n0.043453 0.784308 0.198339 H\n0.704274 0.646223 0.109870 H\n0.947008 0.464890 0.693439 H\n0.801101 0.619768 0.704259 H\n0.955633 0.957813 0.200735 H\n0.050714 0.523759 0.422340 H\n0.990160 0.423491 0.452505 H\n0.567874 0.727874 0.103975 H\n0.295726 0.853777 0.609870 H\n0.067874 0.272126 0.396025 H\n0.301101 0.880232 0.704259 H\n0.567874 0.227874 0.396025 H\n0.949286 0.476241 0.577660 H\n0.208038 0.469510 0.361100 H\n0.059288 0.441054 0.245929 H\n0.704274 0.146223 0.390130 H\n0.940712 0.058946 0.745929 H\n0.957483 0.318160 0.366974 H\n0.544367 0.957813 0.700735 H\n0.542517 0.318160 0.866974 H\n0.544367 0.457813 0.799265 H\n0.440712 0.941054 0.754071 H\n0.447008 0.035110 0.693439 H\n0.204274 0.853777 0.109870 H\n0.698899 0.119768 0.295741 H\n0.509840 0.923491 0.547495 H\n0.795726 0.146223 0.890130 H\n0.801101 0.119768 0.795741 H\n0.456547 0.284308 0.801661 H\n0.432126 0.272126 0.896025 H\n0.457483 0.181840 0.366974 H\n0.457483 0.681840 0.133026 H\n0.456547 0.784308 0.698339 H\n0.698899 0.619768 0.204259 H\n0.947008 0.964890 0.806561 H\n0.490160 0.076509 0.452505 H\n0.301101 0.380232 0.795741 H\n0.295726 0.353777 0.890130 H\n0.043453 0.284308 0.301661 H\n0.449286 0.023759 0.577660 H\n0.614237 0.065142 0.465504 H\n0.198899 0.380232 0.295741 H\n0.550714 0.476241 0.077660 H\n0.955633 0.457813 0.299265 H\n0.432126 0.772126 0.603975 H\n0.114237 0.934858 0.034496 H\n0.940712 0.558946 0.754071 H\n0.050714 0.023759 0.077660 H\n0.490160 0.576509 0.047495 H\n0.791962 0.030490 0.861100 H\n0.956547 0.715692 0.698339 H\n0.440712 0.441054 0.745929 H\n0.044367 0.542187 0.700735 H\n0.044367 0.042187 0.799265 H\n0.385763 0.434858 0.965504 H\n0.614237 0.565142 0.034496 H\n0.542517 0.818160 0.633026 H\n0.291962 0.469510 0.861100 H\n0.059288 0.941054 0.254071 H\n0.559288 0.558946 0.254071 H\n0.552992 0.464890 0.193439 H\n0.932126 0.727874 0.603975 H\n0.114237 0.434858 0.465504 H\n0.543453 0.215692 0.301661 H\n0.791962 0.530490 0.638900 H\n0.509840 0.423491 0.952505 H\n0.990160 0.923491 0.047495 H\n0.042517 0.181840 0.866974 H\n0.708038 0.530490 0.138900 H\n0.949286 0.976241 0.922340 H\n0.052992 0.035110 0.193439 H\n0.795726 0.646223 0.609870 H\n0.291962 0.969510 0.638900 H\n0.208038 0.969510 0.138900 H\n0.067874 0.772126 0.103975 H\n0.385763 0.934858 0.534496 H\n0.550714 0.976241 0.422340 H\n0.956547 0.215692 0.801661 H\n0.447008 0.535110 0.806561 H\n0.009840 0.576509 0.547495 H\n0.543453 0.715692 0.198339 H\n0.052992 0.535110 0.306561 H\n0.708038 0.030490 0.361100 H\n0.885763 0.565142 0.534496 H\n0.957483 0.818160 0.133026 H\n0.042517 0.681840 0.633026 H\n0.449286 0.523759 0.922340 H\n0.552992 0.964890 0.306561 H\n0.932126 0.227874 0.896025 H\n0.885763 0.065142 0.965504 H\n0.055285 0.950557 0.070225 C\n0.179300 0.402396 0.350050 C\n0.679300 0.597604 0.149950 C\n0.055285 0.450557 0.429775 C\n0.532163 0.535535 0.201791 C\n0.967427 0.186422 0.855228 C\n0.467427 0.813578 0.644772 C\n0.320700 0.902396 0.649950 C\n0.532573 0.186422 0.355228 C\n0.532163 0.035535 0.298209 C\n0.820700 0.097604 0.850050 C\n0.555285 0.049443 0.429775 C\n0.532573 0.686422 0.144772 C\n0.444715 0.950557 0.570225 C\n0.032163 0.964465 0.201791 C\n0.555285 0.549443 0.070225 C\n0.467837 0.464465 0.798209 C\n0.032573 0.313578 0.355228 C\n0.179300 0.902396 0.149950 C\n0.944715 0.049443 0.929775 C\n0.679300 0.097604 0.350050 C\n0.967837 0.535535 0.701791 C\n0.467427 0.313578 0.855228 C\n0.944715 0.549443 0.570225 C\n0.820700 0.597604 0.649950 C\n0.032163 0.464465 0.298209 C\n0.967427 0.686422 0.644772 C\n0.967837 0.035535 0.798209 C\n0.444715 0.450557 0.929775 C\n0.467837 0.964465 0.701791 C\n0.320700 0.402396 0.850050 C\n0.032573 0.813578 0.144772 C\n0.748509 0.082731 0.615924 I\n0.256319 0.170146 0.474820 I\n0.254455 0.149068 0.250987 I\n0.504605 0.744540 0.889990 I\n0.245545 0.649068 0.749013 I\n0.256319 0.670146 0.025180 I\n0.251491 0.917269 0.384076 I\n0.743681 0.329854 0.974820 I\n0.751491 0.082731 0.115924 I\n0.550833 0.554835 0.599562 I\n0.245545 0.149068 0.750987 I\n0.254455 0.649068 0.249013 I\n0.004605 0.755460 0.889990 I\n0.504605 0.244540 0.610010 I\n0.050833 0.945165 0.599562 I\n0.949167 0.554835 0.099562 I\n0.449167 0.945165 0.099562 I\n0.949167 0.054835 0.400438 I\n0.251491 0.417269 0.115924 I\n0.550833 0.054835 0.900438 I\n0.449167 0.445165 0.400438 I\n0.995395 0.244540 0.110010 I\n0.756319 0.829854 0.025180 I\n0.995395 0.744540 0.389990 I\n0.243681 0.170146 0.974820 I\n0.745545 0.350932 0.750987 I\n0.050833 0.445165 0.900438 I\n0.243681 0.670146 0.525180 I\n0.754455 0.850932 0.249013 I\n0.248509 0.917269 0.884076 I\n0.495395 0.755460 0.389990 I\n0.248509 0.417269 0.615924 I\n0.754455 0.350932 0.250987 I\n0.743681 0.829854 0.525180 I\n0.495395 0.255460 0.110010 I\n0.004605 0.255460 0.610010 I\n0.748509 0.582731 0.884076 I\n0.756319 0.329854 0.474820 I\n0.751491 0.582731 0.384076 I\n0.745545 0.850932 0.749013 I\n0.574165 0.592713 0.142651 N\n0.074165 0.407287 0.357349 N\n0.425835 0.407287 0.857349 N\n0.925835 0.092713 0.857349 N\n0.925835 0.592713 0.642651 N\n0.574165 0.092713 0.357349 N\n0.425835 0.907287 0.642651 N\n0.074165 0.907287 0.142651 N\n",
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"elements": [
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"H",
"C",
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],
"chemical_system": "C-H-Hg-I-N",
"density": 3.7644420939201835,
"density_atomic": 0.049022968084530535,
"volume": 3916.5315259764257,
"volume_molar": 12.284325073128974,
"formula_full": "Hg16 H96 C32 I40 N8",
"formula_reduced": "Hg2H12C4I5N",
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"energy": -813.94718177,
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"updated_at": "2021-11-28T01:38:04.390000Z",
"spacegroup": 61
},
{
"id": "mp-759391",
"created_at": "2022-09-04T14:47:18.938849Z",
"structure_string": "Co8 H84 I28 N24 O12\n1.0\n8.293016 0.000000 0.000000\n0.000000 11.400785 0.000000\n0.000000 0.000000 26.241127\nCo H I N O\n8 84 28 24 12\ndirect\n0.250000 0.769254 0.104854 Co\n0.250000 0.893226 0.187860 Co\n0.750000 0.393226 0.312140 Co\n0.750000 0.269254 0.395146 Co\n0.250000 0.730746 0.604854 Co\n0.250000 0.606774 0.687860 Co\n0.750000 0.106774 0.812140 Co\n0.750000 0.230746 0.895146 Co\n0.250000 0.783141 0.006940 H\n0.150404 0.891801 0.035760 H\n0.349596 0.891801 0.035760 H\n0.083706 0.624840 0.051257 H\n0.416294 0.624840 0.051257 H\n0.531476 0.693478 0.093570 H\n0.968524 0.693478 0.093570 H\n0.413408 0.585270 0.111817 H\n0.086592 0.585270 0.111817 H\n0.505176 0.877471 0.133974 H\n0.994824 0.877471 0.133974 H\n0.150634 0.087990 0.166732 H\n0.349366 0.087990 0.166732 H\n0.250000 0.659896 0.195924 H\n0.250000 0.104602 0.222064 H\n0.612089 0.341761 0.227504 H\n0.887911 0.341761 0.227504 H\n0.513725 0.830437 0.224260 H\n0.986275 0.830437 0.224260 H\n0.029428 0.961028 0.248956 H\n0.470572 0.961028 0.248956 H\n0.529428 0.461028 0.251044 H\n0.970572 0.461028 0.251044 H\n0.013725 0.330437 0.275740 H\n0.486275 0.330437 0.275740 H\n0.112089 0.841761 0.272496 H\n0.387911 0.841761 0.272496 H\n0.750000 0.604602 0.277936 H\n0.750000 0.159896 0.304076 H\n0.650634 0.587990 0.333268 H\n0.849366 0.587990 0.333268 H\n0.005176 0.377471 0.366026 H\n0.494824 0.377471 0.366026 H\n0.586592 0.085270 0.388183 H\n0.913408 0.085270 0.388183 H\n0.031476 0.193478 0.406430 H\n0.468524 0.193478 0.406430 H\n0.583706 0.124840 0.448743 H\n0.916294 0.124840 0.448743 H\n0.650404 0.391801 0.464240 H\n0.849596 0.391801 0.464240 H\n0.750000 0.283141 0.493060 H\n0.250000 0.716859 0.506940 H\n0.150404 0.608199 0.535760 H\n0.349596 0.608199 0.535760 H\n0.083706 0.875160 0.551257 H\n0.416294 0.875160 0.551257 H\n0.531476 0.806522 0.593570 H\n0.968524 0.806522 0.593570 H\n0.086592 0.914730 0.611817 H\n0.413408 0.914730 0.611817 H\n0.505176 0.622529 0.633974 H\n0.994824 0.622529 0.633974 H\n0.150634 0.412010 0.666732 H\n0.349366 0.412010 0.666732 H\n0.250000 0.840104 0.695924 H\n0.250000 0.395398 0.722064 H\n0.612089 0.158239 0.727504 H\n0.887911 0.158239 0.727504 H\n0.513725 0.669563 0.724260 H\n0.986275 0.669563 0.724260 H\n0.029428 0.538972 0.748956 H\n0.470572 0.538972 0.748956 H\n0.529428 0.038972 0.751044 H\n0.970572 0.038972 0.751044 H\n0.013725 0.169563 0.775740 H\n0.486275 0.169563 0.775740 H\n0.112089 0.658239 0.772496 H\n0.387911 0.658239 0.772496 H\n0.750000 0.895398 0.777936 H\n0.750000 0.340104 0.804076 H\n0.650634 0.912010 0.833268 H\n0.849366 0.912010 0.833268 H\n0.005176 0.122529 0.866026 H\n0.494824 0.122529 0.866026 H\n0.586592 0.414730 0.888183 H\n0.913408 0.414730 0.888183 H\n0.031476 0.306522 0.906430 H\n0.468524 0.306522 0.906430 H\n0.583706 0.375160 0.948743 H\n0.916294 0.375160 0.948743 H\n0.650404 0.108199 0.964240 H\n0.849596 0.108199 0.964240 H\n0.750000 0.216859 0.993060 H\n0.750000 0.679976 0.188628 I\n0.250000 0.179976 0.311372 I\n0.750000 0.820024 0.688628 I\n0.250000 0.320024 0.811372 I\n0.750000 0.881659 0.037050 I\n0.750000 0.454420 0.037645 I\n0.250000 0.256669 0.057243 I\n0.750000 0.273386 0.115405 I\n0.250000 0.387436 0.154644 I\n0.750000 0.083341 0.193565 I\n0.250000 0.583341 0.306435 I\n0.750000 0.887436 0.345356 I\n0.250000 0.773386 0.384595 I\n0.750000 0.756669 0.442757 I\n0.250000 0.954420 0.462355 I\n0.250000 0.381659 0.462950 I\n0.750000 0.618341 0.537050 I\n0.750000 0.045580 0.537645 I\n0.250000 0.243331 0.557243 I\n0.750000 0.226614 0.615405 I\n0.250000 0.112564 0.654644 I\n0.750000 0.416659 0.693565 I\n0.250000 0.916659 0.806435 I\n0.750000 0.612564 0.845356 I\n0.250000 0.726614 0.884595 I\n0.750000 0.743331 0.942757 I\n0.250000 0.545580 0.962355 I\n0.250000 0.118341 0.962950 I\n0.250000 0.838890 0.037645 N\n0.419963 0.656623 0.087908 N\n0.080037 0.656623 0.087908 N\n0.250000 0.062560 0.187034 N\n0.077963 0.881526 0.239121 N\n0.422037 0.881526 0.239121 N\n0.577963 0.381526 0.260879 N\n0.922037 0.381526 0.260879 N\n0.750000 0.562560 0.312966 N\n0.580037 0.156623 0.412091 N\n0.919963 0.156623 0.412091 N\n0.750000 0.338890 0.462355 N\n0.250000 0.661110 0.537645 N\n0.080037 0.843377 0.587908 N\n0.419963 0.843377 0.587908 N\n0.250000 0.437440 0.687034 N\n0.077963 0.618474 0.739121 N\n0.422037 0.618474 0.739121 N\n0.577963 0.118474 0.760879 N\n0.922037 0.118474 0.760879 N\n0.750000 0.937440 0.812966 N\n0.580037 0.343377 0.912092 N\n0.919963 0.343377 0.912092 N\n0.750000 0.161110 0.962355 N\n0.108405 0.895678 0.128356 O\n0.391595 0.895678 0.128356 O\n0.250000 0.730012 0.174909 O\n0.750000 0.230012 0.325091 O\n0.608405 0.395678 0.371644 O\n0.891595 0.395678 0.371644 O\n0.108405 0.604322 0.628356 O\n0.391595 0.604322 0.628356 O\n0.250000 0.769988 0.674909 O\n0.750000 0.269988 0.825091 O\n0.608405 0.104322 0.871644 O\n0.891595 0.104322 0.871644 O\n",
"nsites": 156,
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"elements": [
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"H",
"I",
"N",
"O"
],
"chemical_system": "Co-H-I-N-O",
"density": 3.1039427262319865,
"density_atomic": 0.06287744069636361,
"volume": 2481.017011384529,
"volume_molar": 9.57758568622574,
"formula_full": "Co8 H84 I28 N24 O12",
"formula_reduced": "Co2H21I7(N2O)3",
"formula_anonymous": "A2B3C6D7E21",
"energy": -742.37194095,
"energy_per_atom": -4.758794493269231,
"energy_above_hull": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:38:05.627000Z",
"spacegroup": 62
},
{
"id": "mp-21378",
"created_at": "2022-09-04T14:47:18.942817Z",
"structure_string": "Ho4 Mn4 Ge4\n1.0\n4.094812 0.000000 0.000000\n0.000000 7.042692 0.000000\n0.000000 0.000000 7.898175\nHo Mn Ge\n4 4 4\ndirect\n0.250000 0.522831 0.183210 Ho\n0.750000 0.477169 0.816790 Ho\n0.250000 0.022831 0.316790 Ho\n0.750000 0.977169 0.683210 Ho\n0.750000 0.366781 0.443964 Mn\n0.250000 0.133219 0.943964 Mn\n0.750000 0.866781 0.056036 Mn\n0.250000 0.633219 0.556036 Mn\n0.250000 0.274794 0.617041 Ge\n0.750000 0.225206 0.117041 Ge\n0.250000 0.774794 0.882959 Ge\n0.750000 0.725206 0.382959 Ge\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Ge-Ho-Mn",
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