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{
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{
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"structure_string": "Bi8 N12 Cl36\n1.0\n19.098817 0.000000 0.000000\n0.000000 7.423086 0.000000\n0.000000 0.000000 12.486443\nBi N Cl\n8 12 36\ndirect\n0.505709 0.250000 0.729926 Bi\n0.005709 0.250000 0.770074 Bi\n0.494291 0.750000 0.270074 Bi\n0.994291 0.750000 0.229926 Bi\n0.329192 0.250000 0.069156 Bi\n0.829192 0.250000 0.430844 Bi\n0.670808 0.750000 0.930844 Bi\n0.170808 0.750000 0.569156 Bi\n0.596175 0.250000 0.105162 N\n0.096175 0.250000 0.394838 N\n0.403825 0.750000 0.894838 N\n0.903825 0.750000 0.605162 N\n0.759752 0.250000 0.724988 N\n0.259752 0.250000 0.775012 N\n0.240248 0.750000 0.275012 N\n0.740248 0.750000 0.224988 N\n0.904276 0.250000 0.054482 N\n0.404276 0.250000 0.445518 N\n0.095724 0.750000 0.945518 N\n0.595724 0.750000 0.554482 N\n0.438684 0.250000 0.922166 Cl\n0.938684 0.250000 0.577834 Cl\n0.561316 0.750000 0.077834 Cl\n0.061316 0.750000 0.422166 Cl\n0.247584 0.250000 0.224745 Cl\n0.747584 0.250000 0.275255 Cl\n0.752416 0.750000 0.775255 Cl\n0.252416 0.750000 0.724745 Cl\n0.585720 0.250000 0.572925 Cl\n0.085720 0.250000 0.927075 Cl\n0.414280 0.750000 0.427075 Cl\n0.914280 0.750000 0.072925 Cl\n0.430885 0.500314 0.665422 Cl\n0.930885 0.999686 0.834578 Cl\n0.569115 0.000314 0.334578 Cl\n0.069115 0.499686 0.165422 Cl\n0.569115 0.499686 0.334578 Cl\n0.069115 0.000314 0.165422 Cl\n0.430885 0.999686 0.665422 Cl\n0.930885 0.500314 0.834578 Cl\n0.268994 0.000862 0.971528 Cl\n0.768994 0.499138 0.528472 Cl\n0.731006 0.500862 0.028472 Cl\n0.231006 0.999138 0.471528 Cl\n0.731006 0.999138 0.028472 Cl\n0.231006 0.500862 0.471528 Cl\n0.268994 0.499138 0.971528 Cl\n0.768994 0.000862 0.528472 Cl\n0.589629 0.002859 0.824931 Cl\n0.089629 0.497141 0.675069 Cl\n0.410371 0.502859 0.175069 Cl\n0.910371 0.997141 0.324931 Cl\n0.410371 0.997141 0.175069 Cl\n0.910371 0.502859 0.324931 Cl\n0.589629 0.497141 0.824931 Cl\n0.089629 0.002859 0.675069 Cl\n",
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{
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"created_at": "2022-09-04T14:45:38.447003Z",
"structure_string": "Zn2 Cu4 Si2 S8\n1.0\n6.406404 0.000000 0.000000\n0.000000 6.146093 0.000000\n0.000000 6.143362 7.435012\nZn Cu Si S\n2 4 2 8\ndirect\n0.324688 0.853912 0.729054 Zn\n0.675312 0.853912 0.229054 Zn\n0.327429 0.355964 0.222912 Cu\n0.672571 0.355964 0.722912 Cu\n0.152606 0.109748 0.974437 Cu\n0.847394 0.109748 0.474437 Cu\n0.825677 0.610064 0.975749 Si\n0.174323 0.610064 0.475749 Si\n0.329337 0.484722 0.715502 S\n0.670663 0.484722 0.215502 S\n0.326700 0.969330 0.235970 S\n0.673300 0.969330 0.735970 S\n0.823307 0.263739 0.971390 S\n0.176693 0.263739 0.471390 S\n0.140499 0.730021 0.979386 S\n0.859501 0.730021 0.479386 S\n",
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"elements": [
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"density_atomic": 0.05465436573876846,
"volume": 292.7488002783752,
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"formula_full": "Zn2 Cu4 Si2 S8",
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"spacegroup": 7
},
{
"id": "mp-1061766",
"created_at": "2022-09-04T14:45:39.215971Z",
"structure_string": "Ce1 Ni1 As1\n1.0\n2.051858 -3.553923 0.000000\n2.051858 3.553923 0.000000\n0.000000 0.000000 3.967699\nCe Ni As\n1 1 1\ndirect\n0.666667 0.333333 0.000000 Ce\n0.333333 0.666667 0.500000 Ni\n0.000000 0.000000 0.500000 As\n",
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},
{
"id": "mp-1179858",
"created_at": "2022-09-04T14:45:38.665950Z",
"structure_string": "Rb8 U4 H16 Se8 O48\n1.0\n13.972963 0.000000 0.000000\n0.000000 12.099169 0.000000\n0.000000 0.000000 7.705056\nRb U H Se O\n8 4 16 8 48\ndirect\n0.972253 0.614176 0.740262 Rb\n0.027747 0.385824 0.240262 Rb\n0.527747 0.114176 0.240262 Rb\n0.472253 0.885824 0.740262 Rb\n0.550168 0.644574 0.207542 Rb\n0.449832 0.355426 0.707542 Rb\n0.949832 0.144574 0.707542 Rb\n0.050168 0.855426 0.207542 Rb\n0.748514 0.402502 0.899983 U\n0.251486 0.597498 0.399983 U\n0.751486 0.902502 0.399983 U\n0.248514 0.097498 0.899983 U\n0.785547 0.470804 0.522872 H\n0.214453 0.529196 0.022872 H\n0.714453 0.970804 0.022872 H\n0.285547 0.029196 0.522872 H\n0.791484 0.340830 0.516916 H\n0.208516 0.659170 0.016916 H\n0.708516 0.840830 0.016916 H\n0.291484 0.159170 0.516916 H\n0.622927 0.383746 0.350589 H\n0.377073 0.616254 0.850589 H\n0.877073 0.883746 0.850589 H\n0.122927 0.116254 0.350589 H\n0.523881 0.388093 0.253557 H\n0.476119 0.611907 0.753557 H\n0.976119 0.888093 0.753557 H\n0.023881 0.111907 0.253557 H\n0.830416 0.615317 0.233754 Se\n0.169584 0.384683 0.733754 Se\n0.669584 0.115317 0.733754 Se\n0.330416 0.884683 0.233754 Se\n0.687089 0.690756 0.731304 Se\n0.312911 0.309244 0.231304 Se\n0.812911 0.190756 0.231304 Se\n0.187089 0.809244 0.731304 Se\n0.878859 0.393968 0.903652 O\n0.121141 0.606032 0.403652 O\n0.621141 0.893968 0.403652 O\n0.378859 0.106032 0.903652 O\n0.619104 0.412912 0.902833 O\n0.380896 0.587088 0.402833 O\n0.880896 0.912912 0.402833 O\n0.119104 0.087088 0.902833 O\n0.639952 0.750349 0.906727 O\n0.360048 0.249651 0.406727 O\n0.860048 0.250349 0.406727 O\n0.139952 0.749651 0.906727 O\n0.871395 0.557262 0.414879 O\n0.128605 0.442738 0.914879 O\n0.628605 0.057262 0.914879 O\n0.371395 0.942738 0.414879 O\n0.756822 0.722586 0.282518 O\n0.243178 0.277414 0.782518 O\n0.743178 0.222586 0.782518 O\n0.256822 0.777414 0.282518 O\n0.754038 0.523544 0.140707 O\n0.245962 0.476456 0.640707 O\n0.745962 0.023544 0.640707 O\n0.254038 0.976456 0.140707 O\n0.760937 0.585148 0.787197 O\n0.239063 0.414852 0.287197 O\n0.739063 0.085148 0.287197 O\n0.260937 0.914852 0.787197 O\n0.756773 0.403354 0.574817 O\n0.243227 0.596646 0.074817 O\n0.743227 0.903354 0.074817 O\n0.256773 0.096646 0.574817 O\n0.765233 0.782788 0.643218 O\n0.234767 0.217212 0.143218 O\n0.734767 0.282788 0.143218 O\n0.265233 0.717212 0.643218 O\n0.917838 0.653507 0.102939 O\n0.082162 0.346493 0.602939 O\n0.582162 0.153507 0.602939 O\n0.417838 0.846493 0.102939 O\n0.601915 0.650927 0.596728 O\n0.398085 0.349073 0.096728 O\n0.898085 0.150927 0.096728 O\n0.101915 0.849073 0.596728 O\n0.556945 0.410257 0.359848 O\n0.443055 0.589743 0.859848 O\n0.943055 0.910257 0.859848 O\n0.056945 0.089743 0.359848 O\n",
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"formula_full": "Rb8 U4 H16 Se8 O48",
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},
{
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"structure_string": "Sn10 W16 O44\n1.0\n3.952572 -6.846056 0.000000\n3.952572 6.846056 0.000000\n0.000000 0.000000 18.982795\nSn W O\n10 16 44\ndirect\n0.666667 0.333333 0.933007 Sn\n0.666667 0.333333 0.566993 Sn\n0.307717 0.113293 0.750000 Sn\n0.692283 0.886707 0.250000 Sn\n0.333333 0.666667 0.433007 Sn\n0.886707 0.194424 0.750000 Sn\n0.194424 0.307717 0.250000 Sn\n0.333333 0.666667 0.066993 Sn\n0.805576 0.692283 0.750000 Sn\n0.113293 0.805576 0.250000 Sn\n0.943753 0.166677 0.439775 W\n0.333333 0.666667 0.670825 W\n0.777077 0.943753 0.560225 W\n0.056247 0.833323 0.560225 W\n0.666667 0.333333 0.329175 W\n0.943753 0.166677 0.060225 W\n0.833323 0.777077 0.439775 W\n0.056247 0.833323 0.939775 W\n0.777077 0.943753 0.939775 W\n0.222923 0.056247 0.060225 W\n0.666667 0.333333 0.170825 W\n0.333333 0.666667 0.829175 W\n0.222923 0.056247 0.439775 W\n0.166677 0.222923 0.560225 W\n0.833323 0.777077 0.060225 W\n0.166677 0.222923 0.939775 W\n0.235004 0.058466 0.622984 O\n0.764996 0.941534 0.122984 O\n0.536833 0.875691 0.875582 O\n0.058466 0.823462 0.377016 O\n0.124309 0.661142 0.624418 O\n0.695886 0.165007 0.250000 O\n0.823462 0.764996 0.877016 O\n0.132474 0.412661 0.003068 O\n0.304114 0.834993 0.750000 O\n0.000000 0.000000 0.250000 O\n0.661142 0.536833 0.375582 O\n0.867526 0.587339 0.503068 O\n0.834993 0.530878 0.250000 O\n0.176538 0.235004 0.122984 O\n0.587339 0.719813 0.003068 O\n0.412661 0.280187 0.503068 O\n0.587339 0.719813 0.496932 O\n0.719813 0.132474 0.996932 O\n0.338858 0.463167 0.875582 O\n0.469122 0.304114 0.250000 O\n0.719813 0.132474 0.503068 O\n0.132474 0.412661 0.496932 O\n0.176538 0.235004 0.377016 O\n0.338858 0.463167 0.624418 O\n0.280187 0.867526 0.496932 O\n0.764996 0.941534 0.377016 O\n0.463167 0.124309 0.375582 O\n0.412661 0.280187 0.996932 O\n0.165007 0.469122 0.750000 O\n0.235004 0.058466 0.877016 O\n0.941534 0.176538 0.877016 O\n0.058466 0.823462 0.122984 O\n0.823462 0.764996 0.622984 O\n0.867526 0.587339 0.996932 O\n0.875691 0.338858 0.375582 O\n0.941534 0.176538 0.622984 O\n0.280187 0.867526 0.003068 O\n0.463167 0.124309 0.124418 O\n0.124309 0.661142 0.875582 O\n0.875691 0.338858 0.124418 O\n0.536833 0.875691 0.624418 O\n0.661142 0.536833 0.124418 O\n0.000000 0.000000 0.750000 O\n0.530878 0.695886 0.750000 O\n",
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{
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"structure_string": "H8 Pb4 O8\n1.0\n4.505243 0.000000 0.000000\n0.000000 7.548601 0.000000\n0.000000 0.000000 9.870451\nH Pb O\n8 4 8\ndirect\n0.250000 0.227460 0.967193 H\n0.250000 0.272540 0.467193 H\n0.750000 0.772540 0.032807 H\n0.750000 0.727460 0.532807 H\n0.250000 0.075921 0.702530 H\n0.250000 0.424079 0.202530 H\n0.750000 0.924079 0.297470 H\n0.750000 0.575921 0.797470 H\n0.250000 0.411105 0.724875 Pb\n0.250000 0.088895 0.224875 Pb\n0.750000 0.588895 0.275125 Pb\n0.750000 0.911105 0.775125 Pb\n0.250000 0.280266 0.057916 O\n0.250000 0.219734 0.557916 O\n0.750000 0.719734 0.942084 O\n0.750000 0.780266 0.442084 O\n0.250000 0.062983 0.802582 O\n0.250000 0.437017 0.302582 O\n0.750000 0.937017 0.197418 O\n0.750000 0.562983 0.697418 O\n",
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