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{
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"structure_string": "Li6 Ti12 Zn6 O32\n1.0\n8.470413 0.000000 0.000000\n0.000000 8.471761 0.000000\n0.000000 0.010476 8.474113\nLi Ti Zn O\n6 12 6 32\ndirect\n0.624960 0.125299 0.624503 Li\n0.124960 0.874701 0.375497 Li\n0.502085 0.748036 0.498247 Li\n0.375276 0.625165 0.874966 Li\n0.875276 0.374835 0.125034 Li\n0.002085 0.251964 0.501753 Li\n0.869564 0.130840 0.872238 Ti\n0.118878 0.126086 0.135565 Ti\n0.373215 0.115068 0.383220 Ti\n0.873215 0.884932 0.616780 Ti\n0.618878 0.873914 0.864435 Ti\n0.369564 0.869160 0.127762 Ti\n0.133666 0.628226 0.623533 Ti\n0.877844 0.620356 0.370474 Ti\n0.624754 0.619704 0.122845 Ti\n0.124754 0.380296 0.877155 Ti\n0.377844 0.379644 0.629526 Ti\n0.633666 0.371774 0.376467 Ti\n0.499120 0.249058 0.001430 Zn\n0.247857 0.000593 0.750729 Zn\n0.747857 0.999407 0.249271 Zn\n0.999120 0.750942 0.998570 Zn\n0.750739 0.502230 0.747787 Zn\n0.250739 0.497770 0.252213 Zn\n0.609019 0.143240 0.372432 O\n0.372808 0.138918 0.607199 O\n0.112932 0.136849 0.887071 O\n0.142678 0.126746 0.355591 O\n0.892582 0.122023 0.110108 O\n0.362755 0.113469 0.136256 O\n0.642274 0.110499 0.878120 O\n0.876968 0.105059 0.642333 O\n0.376968 0.894941 0.357667 O\n0.142274 0.889501 0.121880 O\n0.862755 0.886531 0.863744 O\n0.392582 0.877977 0.889892 O\n0.642678 0.873254 0.644409 O\n0.612932 0.863151 0.112929 O\n0.872808 0.861082 0.392801 O\n0.109019 0.856760 0.627568 O\n0.388481 0.641949 0.127630 O\n0.627505 0.639840 0.892834 O\n0.887567 0.637879 0.612450 O\n0.861231 0.627399 0.142196 O\n0.107597 0.623556 0.389113 O\n0.638339 0.610941 0.361195 O\n0.355851 0.608093 0.623676 O\n0.123447 0.607965 0.861607 O\n0.623447 0.392035 0.138393 O\n0.855851 0.391907 0.376324 O\n0.138339 0.389059 0.638805 O\n0.607597 0.376444 0.610887 O\n0.361231 0.372601 0.857804 O\n0.387567 0.362121 0.387550 O\n0.127505 0.360160 0.107166 O\n0.888481 0.358051 0.872370 O\n",
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{
"id": "mp-1196814",
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"structure_string": "Rb8 As4 H20 O24\n1.0\n6.793170 0.000000 -3.956887\n-6.677757 0.000000 -4.317196\n0.000000 13.823129 0.000000\nRb As H O\n8 4 20 24\ndirect\n0.494679 0.751925 0.763126 Rb\n0.005321 0.748075 0.263126 Rb\n0.505321 0.248075 0.236874 Rb\n0.994679 0.251925 0.736874 Rb\n0.006262 0.754408 0.583305 Rb\n0.493738 0.745592 0.083305 Rb\n0.993738 0.245592 0.416695 Rb\n0.506262 0.254408 0.916695 Rb\n0.495103 0.237996 0.639946 As\n0.004897 0.262004 0.139946 As\n0.504897 0.762004 0.360054 As\n0.995103 0.737996 0.860054 As\n0.715058 0.051448 0.589782 H\n0.784942 0.448552 0.089782 H\n0.284942 0.948552 0.410218 H\n0.215058 0.551448 0.910218 H\n0.792248 0.122850 0.964868 H\n0.707752 0.377150 0.464868 H\n0.207752 0.877150 0.035132 H\n0.292248 0.622850 0.535132 H\n0.711070 0.872731 0.536895 H\n0.788930 0.627269 0.036895 H\n0.288930 0.127269 0.463105 H\n0.211070 0.372731 0.963105 H\n0.787680 0.943064 0.911320 H\n0.712320 0.556936 0.411320 H\n0.212320 0.056936 0.088680 H\n0.287680 0.443064 0.588680 H\n0.718062 0.492437 0.734690 H\n0.781938 0.007563 0.234690 H\n0.281938 0.507563 0.265310 H\n0.218062 0.992437 0.765310 H\n0.582160 0.453142 0.707409 O\n0.917840 0.046858 0.207409 O\n0.417840 0.546858 0.292591 O\n0.082160 0.953142 0.792591 O\n0.682556 0.246760 0.573288 O\n0.817444 0.253240 0.073288 O\n0.317444 0.753240 0.426712 O\n0.182556 0.746760 0.926712 O\n0.419612 0.059088 0.723310 O\n0.080388 0.440912 0.223310 O\n0.580388 0.940912 0.276690 O\n0.919612 0.559088 0.776690 O\n0.308274 0.234024 0.574877 O\n0.191726 0.265976 0.074877 O\n0.691726 0.765976 0.425123 O\n0.808274 0.734024 0.925123 O\n0.753920 0.948274 0.597997 O\n0.746080 0.551726 0.097997 O\n0.246080 0.051726 0.402003 O\n0.253920 0.448274 0.902003 O\n0.746798 0.044592 0.904871 O\n0.753202 0.455408 0.404871 O\n0.253202 0.955408 0.095129 O\n0.246798 0.544592 0.595129 O\n",
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],
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"formula_full": "Rb8 As4 H20 O24",
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{
"id": "mp-542557",
"created_at": "2022-09-04T14:48:02.888576Z",
"structure_string": "Cs4 Sc4 As8 H8 O32\n1.0\n9.574958 0.000000 0.000000\n0.000000 5.630408 0.000000\n0.000000 1.561630 15.214660\nCs Sc As H O\n4 4 8 8 32\ndirect\n0.994160 0.770848 0.391570 Cs\n0.494160 0.229152 0.108430 Cs\n0.005840 0.229152 0.608430 Cs\n0.505840 0.770848 0.891570 Cs\n0.034644 0.243705 0.152970 Sc\n0.534644 0.756295 0.347030 Sc\n0.965356 0.756295 0.847030 Sc\n0.465356 0.243705 0.652970 Sc\n0.850973 0.784696 0.059605 As\n0.350973 0.215304 0.440395 As\n0.149027 0.215304 0.940395 As\n0.649027 0.784696 0.559605 As\n0.748973 0.280870 0.308687 As\n0.248973 0.719130 0.191313 As\n0.251027 0.719130 0.691313 As\n0.751027 0.280870 0.808687 As\n0.692261 0.669403 0.171307 H\n0.192261 0.330597 0.328693 H\n0.307739 0.330597 0.828693 H\n0.807739 0.669403 0.671307 H\n0.708914 0.257591 0.459044 H\n0.208914 0.742409 0.040956 H\n0.291086 0.742409 0.540956 H\n0.791086 0.257591 0.959044 H\n0.886345 0.074779 0.076801 O\n0.386345 0.925221 0.423199 O\n0.113655 0.925221 0.923199 O\n0.613655 0.074779 0.576801 O\n0.969287 0.586502 0.106430 O\n0.469287 0.413498 0.393570 O\n0.030713 0.413498 0.893570 O\n0.530713 0.586502 0.606430 O\n0.821910 0.757588 0.951471 O\n0.321910 0.242412 0.548529 O\n0.178090 0.242412 0.048529 O\n0.678090 0.757588 0.451471 O\n0.683398 0.715994 0.105671 O\n0.183398 0.284006 0.394329 O\n0.316602 0.284006 0.894329 O\n0.816602 0.715994 0.605671 O\n0.629488 0.071340 0.287221 O\n0.129488 0.928660 0.212779 O\n0.370512 0.928660 0.712779 O\n0.870512 0.071340 0.787221 O\n0.693653 0.566759 0.277013 O\n0.193653 0.433241 0.222987 O\n0.306347 0.433241 0.722987 O\n0.806347 0.566759 0.777013 O\n0.907611 0.228366 0.265306 O\n0.407611 0.771634 0.234694 O\n0.092389 0.771634 0.734694 O\n0.592389 0.228366 0.765306 O\n0.794333 0.262861 0.422586 O\n0.294333 0.737139 0.077414 O\n0.205667 0.737139 0.577414 O\n0.705667 0.262861 0.922586 O\n",
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{
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"structure_string": "Li8 Cr12 Co4 O32\n1.0\n8.241731 0.000000 0.000000\n0.000000 8.241731 0.000000\n0.000000 0.000000 8.241731\nLi Cr Co O\n8 12 4 32\ndirect\n0.998605 0.998605 0.998605 Li\n0.251395 0.251395 0.251395 Li\n0.248605 0.748605 0.751395 Li\n0.501395 0.001395 0.498605 Li\n0.498605 0.501395 0.001395 Li\n0.751395 0.248605 0.748605 Li\n0.748605 0.751395 0.248605 Li\n0.001395 0.498605 0.501395 Li\n0.126747 0.123253 0.625000 Cr\n0.125000 0.373253 0.876747 Cr\n0.123253 0.625000 0.126747 Cr\n0.376747 0.375000 0.626747 Cr\n0.375000 0.626747 0.376747 Cr\n0.373253 0.876747 0.125000 Cr\n0.626747 0.376747 0.375000 Cr\n0.625000 0.126747 0.123253 Cr\n0.623253 0.875000 0.873253 Cr\n0.876747 0.125000 0.373253 Cr\n0.875000 0.873253 0.623253 Cr\n0.873253 0.623253 0.875000 Cr\n0.125000 0.875000 0.375000 Co\n0.375000 0.125000 0.875000 Co\n0.625000 0.625000 0.625000 Co\n0.875000 0.375000 0.125000 Co\n0.113362 0.111255 0.387841 O\n0.112159 0.886638 0.611255 O\n0.107204 0.607204 0.892796 O\n0.138745 0.136638 0.862159 O\n0.111255 0.387841 0.113362 O\n0.142796 0.357204 0.642796 O\n0.137841 0.638745 0.363362 O\n0.136638 0.862159 0.138745 O\n0.363362 0.137841 0.638745 O\n0.362159 0.361255 0.863362 O\n0.357204 0.642796 0.142796 O\n0.388745 0.612159 0.613362 O\n0.361255 0.863362 0.362159 O\n0.392796 0.392796 0.392796 O\n0.387841 0.113362 0.111255 O\n0.386638 0.888745 0.887841 O\n0.613362 0.388745 0.612159 O\n0.612159 0.613362 0.388745 O\n0.607204 0.892796 0.107204 O\n0.638745 0.363362 0.137841 O\n0.611255 0.112159 0.886638 O\n0.642796 0.142796 0.357204 O\n0.637841 0.861255 0.636638 O\n0.636638 0.637841 0.861255 O\n0.863362 0.362159 0.361255 O\n0.862159 0.138745 0.136638 O\n0.857204 0.857204 0.857204 O\n0.888745 0.887841 0.386638 O\n0.861255 0.636638 0.637841 O\n0.892796 0.107204 0.607204 O\n0.887841 0.386638 0.888745 O\n0.886638 0.611255 0.112159 O\n",
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{
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"structure_string": "Li8 Ni16 O32\n1.0\n8.112747 0.000000 0.000000\n0.000000 8.112747 0.000000\n0.000000 0.000000 8.112747\nLi Ni O\n8 16 32\ndirect\n0.006301 0.006301 0.006301 Li\n0.243699 0.243699 0.243699 Li\n0.256301 0.756301 0.743699 Li\n0.493699 0.993699 0.506301 Li\n0.506301 0.493699 0.993699 Li\n0.743699 0.256301 0.756301 Li\n0.756301 0.743699 0.256301 Li\n0.993699 0.506301 0.493699 Li\n0.115596 0.134404 0.625000 Ni\n0.125000 0.384404 0.865596 Ni\n0.125000 0.875000 0.375000 Ni\n0.134404 0.625000 0.115596 Ni\n0.365596 0.375000 0.615596 Ni\n0.375000 0.125000 0.875000 Ni\n0.375000 0.615596 0.365596 Ni\n0.384404 0.865596 0.125000 Ni\n0.615596 0.365596 0.375000 Ni\n0.625000 0.115596 0.134404 Ni\n0.625000 0.625000 0.625000 Ni\n0.634404 0.875000 0.884404 Ni\n0.865596 0.125000 0.384404 Ni\n0.875000 0.375000 0.125000 Ni\n0.875000 0.884404 0.634404 Ni\n0.884404 0.634404 0.875000 Ni\n0.095384 0.126957 0.394601 O\n0.105399 0.904616 0.626957 O\n0.116976 0.616976 0.883024 O\n0.123043 0.154616 0.855399 O\n0.126957 0.394601 0.095384 O\n0.133024 0.366976 0.633024 O\n0.144601 0.623043 0.345384 O\n0.154616 0.855399 0.123043 O\n0.345384 0.144601 0.623043 O\n0.355399 0.376957 0.845384 O\n0.366976 0.633024 0.133024 O\n0.373043 0.605399 0.595384 O\n0.376957 0.845384 0.355399 O\n0.383024 0.383024 0.383024 O\n0.394601 0.095384 0.126957 O\n0.404616 0.873043 0.894601 O\n0.595384 0.373043 0.605399 O\n0.605399 0.595384 0.373043 O\n0.616976 0.883024 0.116976 O\n0.623043 0.345384 0.144601 O\n0.626957 0.105399 0.904616 O\n0.633024 0.133024 0.366976 O\n0.644601 0.876957 0.654616 O\n0.654616 0.644601 0.876957 O\n0.845384 0.355399 0.376957 O\n0.855399 0.123043 0.154616 O\n0.866976 0.866976 0.866976 O\n0.873043 0.894601 0.404616 O\n0.876957 0.654616 0.644601 O\n0.883024 0.116976 0.616976 O\n0.894601 0.404616 0.873043 O\n0.904616 0.626957 0.105399 O\n",
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{
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"updated_at": "2021-11-28T01:34:38.298000Z",
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},
{
"id": "mp-1204772",
"created_at": "2022-09-04T14:40:03.388556Z",
"structure_string": "Co10 As10 O35\n1.0\n5.407731 0.000000 0.000000\n0.632596 7.778962 0.000000\n0.365256 1.977977 16.168229\nCo As O\n10 10 35\ndirect\n0.619840 0.821400 0.063400 Co\n0.380160 0.178600 0.936600 Co\n0.405528 0.257703 0.261389 Co\n0.594472 0.742297 0.738611 Co\n0.225512 0.608922 0.461513 Co\n0.774488 0.391078 0.538487 Co\n0.994593 0.032143 0.661573 Co\n0.005407 0.967857 0.338427 Co\n0.837495 0.406618 0.866654 Co\n0.162505 0.593382 0.133346 Co\n0.507783 0.736689 0.276316 As\n0.492217 0.263311 0.723684 As\n0.290558 0.178323 0.473784 As\n0.709442 0.821677 0.526216 As\n0.118531 0.609876 0.671782 As\n0.881469 0.390124 0.328218 As\n0.881934 0.967551 0.869948 As\n0.118066 0.032449 0.130052 As\n0.696358 0.379744 0.076175 As\n0.303642 0.620256 0.923825 As\n0.415206 0.741523 0.175006 O\n0.584794 0.258477 0.824994 O\n0.219853 0.157231 0.372893 O\n0.780147 0.842769 0.627107 O\n0.056415 0.541965 0.578256 O\n0.943585 0.458035 0.421744 O\n0.781026 0.952920 0.771548 O\n0.218974 0.047080 0.228452 O\n0.642994 0.332558 0.978710 O\n0.357006 0.667442 0.021290 O\n0.597414 0.508558 0.294605 O\n0.402586 0.491442 0.705395 O\n0.500000 0.000000 0.500000 O\n0.084579 0.776110 0.876246 O\n0.915421 0.223890 0.123754 O\n0.842950 0.566978 0.076283 O\n0.157050 0.433022 0.923717 O\n0.748265 0.853135 0.284277 O\n0.251735 0.146865 0.715723 O\n0.447972 0.357156 0.478361 O\n0.552028 0.642844 0.521639 O\n0.252132 0.802936 0.676267 O\n0.747868 0.197064 0.323733 O\n0.056289 0.135021 0.883425 O\n0.943711 0.864979 0.116575 O\n0.557603 0.628811 0.859184 O\n0.442397 0.371189 0.140816 O\n0.351732 0.051226 0.057358 O\n0.648268 0.948774 0.942642 O\n0.103426 0.441343 0.254234 O\n0.896574 0.558657 0.745766 O\n0.957478 0.837446 0.460156 O\n0.042522 0.162554 0.539844 O\n0.729283 0.247825 0.651998 O\n0.270717 0.752175 0.348002 O\n",
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"nelements": 3,
"elements": [
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],
"chemical_system": "As-Co-O",
"density": 4.63518083393625,
"density_atomic": 0.08086554310864834,
"volume": 680.141354224305,
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"formula_full": "Co10 As10 O35",
"formula_reduced": "Co2As2O7",
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"updated_at": "2021-11-28T01:34:45.638000Z",
"spacegroup": 2
}
]
}