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{
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{
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{
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{
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"structure_string": "Cr4 N8\n1.0\n4.435130 3.592933 0.000000\n-4.435130 3.592933 0.000000\n0.000000 1.039871 5.756982\nCr N\n4 8\ndirect\n0.044367 0.963851 0.997401 Cr\n0.963851 0.044367 0.497401 Cr\n0.372820 0.543609 0.915512 Cr\n0.543609 0.372820 0.415512 Cr\n0.278465 0.153565 0.466081 N\n0.153565 0.278465 0.966081 N\n0.898174 0.863076 0.281168 N\n0.863076 0.898174 0.781168 N\n0.480501 0.550357 0.625773 N\n0.550357 0.480501 0.125773 N\n0.262126 0.798810 0.963595 N\n0.798810 0.262126 0.463595 N\n",
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{
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"structure_string": "Ca1 Dy1 V4 O12\n1.0\n0.000000 -3.708180 -3.740434\n0.000000 -3.708180 3.740434\n-7.506992 0.000000 0.000000\nCa Dy V O\n1 1 4 12\ndirect\n0.485627 0.514373 0.000000 Ca\n0.023117 0.976883 0.500000 Dy\n0.499949 0.006824 0.247489 V\n0.499949 0.006824 0.752511 V\n0.993176 0.500051 0.752511 V\n0.993176 0.500051 0.247489 V\n0.286692 0.286126 0.249692 O\n0.713874 0.713308 0.249692 O\n0.713874 0.713308 0.750308 O\n0.286692 0.286126 0.750308 O\n0.214054 0.785946 0.219862 O\n0.796033 0.203967 0.294158 O\n0.796033 0.203967 0.705842 O\n0.214054 0.785946 0.780138 O\n0.540537 0.040006 0.000000 O\n0.451544 0.974974 0.500000 O\n0.959994 0.459463 -0.000000 O\n0.025026 0.548456 0.500000 O\n",
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{
"id": "mp-754338",
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"structure_string": "Ag8 O4\n1.0\n-3.215154 3.232741 5.018487\n3.215154 -3.232741 5.018487\n3.215154 3.232741 -5.018487\nAg O\n8 4\ndirect\n0.000000 0.500000 0.000000 Ag\n0.000000 0.000000 0.500000 Ag\n0.000000 0.500000 0.500000 Ag\n0.500000 0.250000 0.750000 Ag\n0.000000 0.000000 0.000000 Ag\n0.500000 0.000000 0.000000 Ag\n0.500000 0.750000 0.250000 Ag\n0.500000 0.500000 0.500000 Ag\n0.166188 0.887892 0.278296 O\n0.609596 0.387892 0.221704 O\n0.390404 0.612108 0.778296 O\n0.833812 0.112108 0.721704 O\n",
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{
"id": "mp-628742",
"created_at": "2022-09-04T14:47:25.517658Z",
"structure_string": "Cs20 Sb32\n1.0\n11.660383 0.000000 0.000000\n0.000000 7.470681 0.000000\n0.000000 3.269997 28.020275\nCs Sb\n20 32\ndirect\n0.570907 0.476808 0.426138 Cs\n0.396924 0.742525 0.978711 Cs\n0.807512 0.236170 0.690106 Cs\n0.603076 0.257475 0.021289 Cs\n0.536456 0.713501 0.257612 Cs\n0.192488 0.763830 0.309894 Cs\n0.813910 0.974375 0.377745 Cs\n0.963544 0.713501 0.757612 Cs\n0.686090 0.974375 0.877745 Cs\n0.692488 0.236170 0.190106 Cs\n0.186090 0.025625 0.622255 Cs\n0.313910 0.025625 0.122255 Cs\n0.463544 0.286499 0.742388 Cs\n0.307512 0.763830 0.809894 Cs\n0.929093 0.476808 0.926138 Cs\n0.103076 0.742525 0.478711 Cs\n0.429093 0.523192 0.573862 Cs\n0.896924 0.257475 0.521289 Cs\n0.070907 0.523192 0.073862 Cs\n0.036456 0.286499 0.242388 Cs\n0.699985 0.484724 0.816493 Sb\n0.752332 0.760921 0.524391 Sb\n0.142192 0.304701 0.837032 Sb\n0.129267 0.195286 0.744113 Sb\n0.639100 0.808516 0.112818 Sb\n0.524900 0.013267 0.625306 Sb\n0.642192 0.695299 0.662968 Sb\n0.596999 0.060940 0.527628 Sb\n0.199985 0.515276 0.683507 Sb\n0.975100 0.013267 0.125306 Sb\n0.139100 0.191484 0.387182 Sb\n0.800015 0.484724 0.316493 Sb\n0.370733 0.195286 0.244113 Sb\n0.300015 0.515276 0.183507 Sb\n0.475100 0.986733 0.374694 Sb\n0.039105 0.531343 0.608911 Sb\n0.252332 0.239079 0.975609 Sb\n0.247668 0.239079 0.475609 Sb\n0.860900 0.808516 0.612818 Sb\n0.857808 0.695299 0.162968 Sb\n0.629267 0.804714 0.755887 Sb\n0.870733 0.804714 0.255887 Sb\n0.403001 0.939060 0.472372 Sb\n0.460895 0.531343 0.108911 Sb\n0.903001 0.060940 0.027628 Sb\n0.539105 0.468657 0.891089 Sb\n0.024900 0.986733 0.874694 Sb\n0.096999 0.939060 0.972372 Sb\n0.360900 0.191484 0.887182 Sb\n0.960895 0.468657 0.391089 Sb\n0.747668 0.760921 0.024391 Sb\n0.357808 0.304701 0.337032 Sb\n",
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{
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{
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"structure_string": "Li8 Zr6 O16\n1.0\n6.207555 0.000000 0.000000\n0.000000 5.465288 0.000000\n0.000000 1.725916 10.051027\nLi Zr O\n8 6 16\ndirect\n0.372655 0.743331 0.492370 Li\n0.627345 0.256669 0.507630 Li\n0.372655 0.256669 0.007630 Li\n0.627345 0.743331 0.992370 Li\n0.857472 0.500000 0.250000 Li\n0.122917 0.000000 0.250000 Li\n0.877083 0.000000 0.750000 Li\n0.142528 0.500000 0.750000 Li\n0.861287 0.734667 0.519900 Zr\n0.603114 0.000000 0.250000 Zr\n0.138713 0.265333 0.480100 Zr\n0.396886 0.000000 0.750000 Zr\n0.861287 0.265333 0.980100 Zr\n0.138713 0.734667 0.019900 Zr\n0.373159 0.898353 0.124588 O\n0.373159 0.101647 0.375412 O\n0.875653 0.109103 0.378512 O\n0.124347 0.890897 0.621488 O\n0.895407 0.377599 0.610780 O\n0.641762 0.658260 0.379423 O\n0.875653 0.890897 0.121488 O\n0.104593 0.622401 0.389220 O\n0.641762 0.341740 0.120577 O\n0.358238 0.658260 0.879423 O\n0.358238 0.341740 0.620577 O\n0.124347 0.109103 0.878512 O\n0.626841 0.898353 0.624588 O\n0.895407 0.622401 0.889220 O\n0.626841 0.101647 0.875412 O\n0.104593 0.377599 0.110780 O\n",
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},
{
"id": "mp-1213238",
"created_at": "2022-09-04T14:47:25.530017Z",
"structure_string": "Cu2 H4 N4 Cl8\n1.0\n7.665379 0.000000 0.000000\n0.000000 7.665379 0.000000\n0.000000 0.000000 7.542132\nCu H N Cl\n2 4 4 8\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.404790 H\n0.000000 0.000000 0.595210 H\n0.500000 0.500000 0.904790 H\n0.500000 0.500000 0.095210 H\n0.500000 0.000000 0.250000 N\n0.500000 0.000000 0.750000 N\n0.000000 0.500000 0.250000 N\n0.000000 0.500000 0.750000 N\n0.631055 0.368945 0.000000 Cl\n0.368945 0.631055 0.000000 Cl\n0.868945 0.868945 0.500000 Cl\n0.131055 0.131055 0.500000 Cl\n0.188259 0.188259 0.000000 Cl\n0.811741 0.811741 0.000000 Cl\n0.688259 0.311741 0.500000 Cl\n0.311741 0.688259 0.500000 Cl\n",
"nsites": 18,
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"elements": [
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],
"chemical_system": "Cl-Cu-H-N",
"density": 1.764008564747988,
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"formula_full": "Cu2 H4 N4 Cl8",
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{
"id": "mp-1175611",
"created_at": "2022-09-04T14:47:24.576037Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.900945 0.000000 0.000000\n-0.137090 10.109200 0.000000\n-1.206713 -4.294289 9.626945\nLi Mn Co O\n9 2 5 16\ndirect\n0.127541 0.686113 0.252016 Li\n0.875879 0.824407 0.757808 Li\n0.616973 0.941381 0.244899 Li\n0.622833 0.438333 0.250005 Li\n0.377167 0.561667 0.749995 Li\n0.124121 0.175593 0.242192 Li\n0.872459 0.313887 0.747984 Li\n0.383027 0.058619 0.755101 Li\n0.500000 0.000000 0.000000 Li\n0.001698 0.756343 0.002340 Mn\n0.998302 0.243657 0.997660 Mn\n0.751898 0.875019 0.500021 Co\n0.248102 0.124981 0.499979 Co\n0.747953 0.375445 0.500064 Co\n0.500000 0.500000 0.000000 Co\n0.252047 0.624555 0.499936 Co\n0.546802 0.708548 0.106368 O\n0.326916 0.840120 0.616100 O\n0.059991 0.948340 0.117768 O\n0.046073 0.464540 0.105879 O\n0.818994 0.590342 0.616238 O\n0.550128 0.225498 0.111300 O\n0.316151 0.342649 0.617697 O\n0.823803 0.093525 0.614731 O\n0.683849 0.657351 0.382303 O\n0.449872 0.774502 0.888700 O\n0.176197 0.906475 0.385269 O\n0.181006 0.409658 0.383762 O\n0.953927 0.535460 0.894121 O\n0.673084 0.159880 0.383900 O\n0.453198 0.291452 0.893632 O\n0.940009 0.051660 0.882232 O\n",
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"elements": [
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"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.252491953122903,
"density_atomic": 0.11334574048233068,
"volume": 282.32203401581233,
"volume_molar": 5.313071964039781,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
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"updated_at": "2021-11-28T01:38:07.803000Z",
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}
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}