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{
"id": "mp-628742",
"created_at": "2022-09-04T14:47:25.517658Z",
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{
"id": "mp-1201812",
"created_at": "2022-09-04T14:47:25.521229Z",
"structure_string": "Ag8 H32 C8 S8 N16 Cl8\n1.0\n7.504746 0.000000 0.000000\n0.000000 8.603257 0.000000\n0.000000 0.000000 16.940594\nAg H C S N Cl\n8 32 8 8 16 8\ndirect\n0.339970 0.330039 0.207270 Ag\n0.160030 0.830039 0.792730 Ag\n0.839970 0.669961 0.292730 Ag\n0.660030 0.169961 0.707270 Ag\n0.660030 0.669961 0.792730 Ag\n0.839970 0.169961 0.207270 Ag\n0.160030 0.330039 0.707270 Ag\n0.339970 0.830039 0.292730 Ag\n0.609162 0.148018 0.453452 H\n0.890838 0.648018 0.546548 H\n0.109162 0.851982 0.046548 H\n0.390838 0.351982 0.953452 H\n0.390838 0.851982 0.546548 H\n0.109162 0.351982 0.453452 H\n0.890838 0.148018 0.953452 H\n0.609162 0.648018 0.046548 H\n0.646830 0.098665 0.354717 H\n0.853170 0.598665 0.645283 H\n0.146830 0.901335 0.145283 H\n0.353170 0.401335 0.854717 H\n0.353170 0.901335 0.645283 H\n0.146830 0.401335 0.354717 H\n0.853170 0.098665 0.854717 H\n0.646830 0.598665 0.145283 H\n0.633228 0.393980 0.495059 H\n0.866772 0.893980 0.504941 H\n0.133228 0.606020 0.004941 H\n0.366772 0.106020 0.995059 H\n0.366772 0.606020 0.504941 H\n0.133228 0.106020 0.495059 H\n0.866772 0.393980 0.995059 H\n0.633228 0.893980 0.004941 H\n0.660139 0.549266 0.427194 H\n0.839861 0.049266 0.572806 H\n0.160139 0.450734 0.072806 H\n0.339861 0.950734 0.927194 H\n0.339861 0.450734 0.572806 H\n0.160139 0.950734 0.427194 H\n0.839861 0.549266 0.927194 H\n0.660139 0.049266 0.072806 H\n0.668333 0.329819 0.380709 C\n0.831667 0.829819 0.619291 C\n0.168333 0.670181 0.119291 C\n0.331667 0.170181 0.880709 C\n0.331667 0.670181 0.619291 C\n0.168333 0.170181 0.380709 C\n0.831667 0.329819 0.880709 C\n0.668333 0.829819 0.119291 C\n0.704154 0.390787 0.284252 S\n0.795846 0.890787 0.715748 S\n0.204154 0.609213 0.215748 S\n0.295846 0.109213 0.784252 S\n0.295846 0.609213 0.715748 S\n0.204154 0.109213 0.284252 S\n0.795846 0.390787 0.784252 S\n0.704154 0.890787 0.215748 S\n0.652738 0.179356 0.398344 N\n0.847262 0.679356 0.601656 N\n0.152738 0.820644 0.101656 N\n0.347262 0.320644 0.898344 N\n0.347262 0.820644 0.601656 N\n0.152738 0.320644 0.398344 N\n0.847262 0.179356 0.898344 N\n0.652738 0.679356 0.101656 N\n0.653993 0.432741 0.438733 N\n0.846007 0.932741 0.561267 N\n0.153993 0.567259 0.061267 N\n0.346007 0.067259 0.938733 N\n0.346007 0.567259 0.561267 N\n0.153993 0.067259 0.438733 N\n0.846007 0.432741 0.938733 N\n0.653993 0.932741 0.061267 N\n0.526835 0.301275 0.081624 Cl\n0.973165 0.801275 0.918376 Cl\n0.026835 0.698725 0.418376 Cl\n0.473165 0.198725 0.581624 Cl\n0.473165 0.698725 0.918376 Cl\n0.026835 0.198725 0.081624 Cl\n0.973165 0.301275 0.581624 Cl\n0.526835 0.801275 0.418376 Cl\n",
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"density_atomic": 0.07314126346702195,
"volume": 1093.7738317313938,
"volume_molar": 8.23357496786376,
"formula_full": "Ag8 H32 C8 S8 N16 Cl8",
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"updated_at": "2021-11-28T01:38:12.337000Z",
"spacegroup": 61
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{
"id": "mp-765573",
"created_at": "2022-09-04T14:47:25.524562Z",
"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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"formula_full": "Li8 Zr6 O16",
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{
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"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",
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{
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"structure_string": "V4 Ge1 Se8\n1.0\n0.000000 5.123400 5.123400\n5.123400 0.000000 5.123400\n5.123400 5.123400 0.000000\nV Ge Se\n4 1 8\ndirect\n0.602180 0.602180 0.193460 V\n0.602180 0.602180 0.602180 V\n0.193460 0.602180 0.602180 V\n0.602180 0.193460 0.602180 V\n0.000000 0.000000 0.000000 Ge\n0.368723 0.368723 0.368723 Se\n0.893831 0.368723 0.368723 Se\n0.368723 0.893831 0.368723 Se\n0.368723 0.368723 0.893831 Se\n0.860681 0.860681 0.860681 Se\n0.417957 0.860681 0.860681 Se\n0.860681 0.417957 0.860681 Se\n0.860681 0.860681 0.417957 Se\n",
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{
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{
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"structure_string": "Li4 Co4 P12 O36\n1.0\n9.434822 0.000000 0.000000\n-3.019400 8.943673 0.000000\n-2.495562 -4.253654 8.366818\nLi Co P O\n4 4 12 36\ndirect\n0.355881 0.151100 0.324067 Li\n0.347042 0.932250 0.502720 Li\n0.644119 0.848900 0.675933 Li\n0.652958 0.067750 0.497280 Li\n0.098625 0.297568 0.212669 Co\n0.748326 0.230371 0.275342 Co\n0.251674 0.769629 0.724658 Co\n0.901375 0.702432 0.787331 Co\n0.306569 0.432945 0.591357 P\n0.571152 0.338058 0.706442 P\n0.944917 0.212422 0.838497 P\n0.487526 0.849687 0.103607 P\n0.002194 0.609248 0.354254 P\n0.512474 0.150313 0.896393 P\n0.997806 0.390752 0.645746 P\n0.811282 0.911547 0.076784 P\n0.693431 0.567055 0.408643 P\n0.428848 0.661942 0.293558 P\n0.188718 0.088453 0.923216 P\n0.055083 0.787578 0.161503 P\n0.155127 0.748610 0.495727 O\n0.726466 0.479319 0.745503 O\n0.634249 0.382007 0.355576 O\n0.365618 0.186983 0.930379 O\n0.151004 0.359573 0.629936 O\n0.430942 0.400973 0.710313 O\n0.502801 0.176371 0.555867 O\n0.365751 0.617993 0.644424 O\n0.955432 0.273759 0.004621 O\n0.001369 0.373603 0.803930 O\n0.196214 0.139601 0.090571 O\n0.044568 0.726241 0.995379 O\n0.367021 0.824489 0.954699 O\n0.844873 0.251390 0.504273 O\n0.906692 0.836235 0.170041 O\n0.733386 0.681967 0.579780 O\n0.803786 0.860399 0.909429 O\n0.212777 0.925110 0.296828 O\n0.404220 0.696736 0.139324 O\n0.093308 0.163765 0.829959 O\n0.497199 0.823629 0.444133 O\n0.634382 0.813017 0.069621 O\n0.569058 0.599027 0.289687 O\n0.117678 0.902447 0.811706 O\n0.559642 0.014904 0.252606 O\n0.969866 0.431083 0.322916 O\n0.273534 0.520681 0.254497 O\n0.440358 0.985096 0.747394 O\n0.882322 0.097553 0.188294 O\n0.848996 0.640427 0.370064 O\n0.595780 0.303264 0.860676 O\n0.266614 0.318033 0.420220 O\n0.030134 0.568917 0.677084 O\n0.998631 0.626397 0.196070 O\n0.787223 0.074890 0.703172 O\n0.632979 0.175511 0.045301 O\n",
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{
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}