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{
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{
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{
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"structure_string": "K1 Li1 Al2 Si4 O10 F2\n1.0\n4.617929 2.668281 0.000000\n-4.617929 2.668281 0.000000\n0.000000 1.969111 10.203603\nK Li Al Si O F\n1 1 2 4 10 2\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Li\n0.830241 0.169759 0.500000 Al\n0.169759 0.830241 0.500000 Al\n0.587410 0.250425 0.231267 Si\n0.412590 0.749575 0.768733 Si\n0.749575 0.412590 0.768733 Si\n0.250425 0.587410 0.231267 Si\n0.429677 0.941586 0.168349 O\n0.570323 0.058414 0.831651 O\n0.058414 0.570323 0.831651 O\n0.941586 0.429677 0.168349 O\n0.537432 0.174631 0.396263 O\n0.462568 0.825369 0.603737 O\n0.825369 0.462568 0.603737 O\n0.174631 0.537432 0.396263 O\n0.454552 0.454552 0.174835 O\n0.545448 0.545448 0.825165 O\n0.886262 0.886262 0.408411 F\n0.113738 0.113738 0.591589 F\n",
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"structure_string": "Ag8 S4 O8\n1.0\n-4.036941 -5.149532 0.000000\n-4.036941 5.149532 0.000000\n4.036941 0.000000 -9.289199\nAg S O\n8 4 8\ndirect\n0.445720 0.186964 0.714808 Ag\n0.269088 0.527844 0.714808 Ag\n0.813036 0.554280 0.285192 Ag\n0.804280 0.563036 0.785192 Ag\n0.472156 0.730912 0.285192 Ag\n0.980912 0.222156 0.785192 Ag\n0.436964 0.195720 0.214808 Ag\n0.777844 0.019088 0.214808 Ag\n0.625000 0.875000 0.750000 S\n0.125000 0.875000 0.750000 S\n0.125000 0.375000 0.250000 S\n0.125000 0.875000 0.250000 S\n0.681357 0.948408 0.914208 O\n0.232850 0.965800 0.914208 O\n0.051592 0.318643 0.085792 O\n0.568643 0.801592 0.585792 O\n0.034200 0.767150 0.085792 O\n0.017150 0.784200 0.585792 O\n0.198408 0.431357 0.414208 O\n0.215800 0.982850 0.414208 O\n",
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"elements": [
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],
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"formula_full": "Ag8 S4 O8",
"formula_reduced": "Ag2SO2",
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"updated_at": "2021-11-28T01:35:53.396000Z",
"spacegroup": 70
},
{
"id": "mp-666728",
"created_at": "2022-09-04T14:42:48.152084Z",
"structure_string": "Cr1 B6 H16\n1.0\n4.475192 0.000000 0.000000\n-2.168126 5.470298 0.000000\n-0.384804 -2.806959 8.531095\nCr B H\n1 6 16\ndirect\n0.500000 0.000000 0.500000 Cr\n0.007767 0.307182 0.304715 B\n0.992233 0.692818 0.695285 B\n0.978586 0.203331 0.132296 B\n0.953090 0.995500 0.312877 B\n0.021414 0.796669 0.867704 B\n0.046910 0.004500 0.687123 B\n0.232148 0.284612 0.023977 H\n0.741621 0.566670 0.668734 H\n0.176634 0.942361 0.341950 H\n0.759083 0.332574 0.382866 H\n0.059211 0.056369 0.814407 H\n0.823366 0.057639 0.658050 H\n0.240917 0.667426 0.617134 H\n0.030521 0.436520 0.171382 H\n0.282165 0.840723 0.897505 H\n0.767852 0.715388 0.976023 H\n0.717835 0.159277 0.102495 H\n0.674157 0.815083 0.399200 H\n0.325843 0.184917 0.600800 H\n0.940789 0.943631 0.185593 H\n0.969479 0.563480 0.828618 H\n0.258379 0.433330 0.331266 H\n",
"nsites": 23,
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"elements": [
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],
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"density": 1.0573964270710998,
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"volume": 208.8466130108152,
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"formula_full": "Cr1 B6 H16",
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"updated_at": "2021-11-28T01:35:54.038000Z",
"spacegroup": 2
},
{
"id": "mp-1245109",
"created_at": "2022-09-04T14:42:48.654292Z",
"structure_string": "Zn40 O40\n1.0\n9.921700 0.495703 -0.269929\n0.495414 10.124096 -0.012965\n-0.268144 -0.022147 10.567464\nZn O\n40 40\ndirect\n0.061952 0.735133 0.751989 Zn\n0.742600 0.462470 0.216272 Zn\n0.588037 0.486269 0.453914 Zn\n0.113700 0.797338 0.503230 Zn\n0.233105 0.782179 0.194715 Zn\n0.264080 0.981426 0.665872 Zn\n0.216612 0.430934 0.964904 Zn\n0.224089 0.540841 0.282633 Zn\n0.085231 0.254787 0.559493 Zn\n0.662846 0.266139 0.713993 Zn\n0.644472 0.045100 0.341356 Zn\n0.282011 0.547214 0.538991 Zn\n0.431381 0.003814 0.185691 Zn\n0.713964 0.784221 0.842838 Zn\n0.958436 0.570016 0.111367 Zn\n0.449108 0.773859 0.398044 Zn\n0.802846 0.007537 0.018334 Zn\n0.941314 0.385050 0.736997 Zn\n0.672584 0.474478 0.951788 Zn\n0.872383 0.791011 0.263137 Zn\n0.976966 0.043066 0.766503 Zn\n0.968479 0.096117 0.255491 Zn\n0.947868 0.276109 0.992023 Zn\n0.333919 0.836510 0.923127 Zn\n0.352538 0.279904 0.745558 Zn\n0.606719 0.780253 0.111156 Zn\n0.193068 0.084220 0.055424 Zn\n0.654051 0.576787 0.691905 Zn\n0.403915 0.597559 0.774805 Zn\n0.789761 0.191736 0.497724 Zn\n0.117507 0.315173 0.290414 Zn\n0.027515 0.839126 0.006202 Zn\n0.426224 0.269675 0.456512 Zn\n0.449945 0.283521 0.144103 Zn\n0.450416 0.563350 0.140629 Zn\n0.533271 0.997226 0.624949 Zn\n0.936856 0.532858 0.444558 Zn\n0.795407 0.837470 0.539524 Zn\n0.268127 0.045046 0.393886 Zn\n0.498786 0.044113 0.900790 Zn\n0.844608 0.433158 0.056052 O\n0.533003 0.149034 0.753884 O\n0.413406 0.913676 0.782650 O\n0.916939 0.197234 0.646978 O\n0.582231 0.410732 0.104597 O\n0.268046 0.175122 0.622709 O\n0.067309 0.207544 0.139166 O\n0.392702 0.125754 0.037541 O\n0.648172 0.914093 0.975835 O\n0.918927 0.791801 0.854952 O\n0.081394 0.919015 0.647288 O\n0.274094 0.399167 0.422206 O\n0.389635 0.930114 0.504299 O\n0.707628 0.748882 0.661663 O\n0.299569 0.436783 0.134957 O\n0.032605 0.495832 0.282799 O\n0.603138 0.296524 0.530746 O\n0.236240 0.714934 0.383051 O\n0.570744 0.883891 0.272937 O\n0.477262 0.565538 0.596181 O\n0.244304 0.968467 0.220625 O\n0.459962 0.165136 0.301912 O\n0.579567 0.638163 0.871799 O\n0.793773 0.147393 0.319544 O\n0.402850 0.749243 0.078446 O\n0.927735 0.931462 0.156543 O\n0.029914 0.445709 0.590498 O\n0.070028 0.357126 0.881280 O\n0.745319 0.416894 0.777203 O\n0.775036 0.672452 0.159993 O\n0.489930 0.602651 0.321594 O\n0.768292 0.463974 0.394545 O\n0.109393 0.678209 0.092669 O\n0.876490 0.121399 0.907261 O\n0.221594 0.663501 0.680302 O\n0.099503 0.155954 0.396194 O\n0.157726 0.948001 0.928804 O\n0.695446 0.008196 0.529151 O\n0.930902 0.747492 0.438387 O\n0.364863 0.427628 0.848071 O\n",
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"elements": [
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],
"chemical_system": "O-Zn",
"density": 5.110085339072356,
"density_atomic": 0.07560313976970624,
"volume": 1058.1571115126565,
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"formula_full": "Zn40 O40",
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"updated_at": "2021-11-28T01:36:09.216000Z",
"spacegroup": 1
}
]
}