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{
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{
"id": "mp-972794",
"created_at": "2022-09-04T14:46:29.082123Z",
"structure_string": "Si2 Sb6\n1.0\n3.224847 -5.585599 0.000000\n3.224847 5.585599 0.000000\n0.000000 0.000000 5.562229\nSi Sb\n2 6\ndirect\n0.333333 0.666667 0.750000 Si\n0.666667 0.333333 0.250000 Si\n0.174630 0.349260 0.250000 Sb\n0.650740 0.825370 0.250000 Sb\n0.174630 0.825370 0.250000 Sb\n0.825370 0.650740 0.750000 Sb\n0.349260 0.174630 0.750000 Sb\n0.825370 0.174630 0.750000 Sb\n",
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{
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"structure_string": "Re4 Rh4 Br24 N20 Cl4\n1.0\n8.293983 0.000000 0.000000\n0.203985 11.544247 0.000000\n0.160042 3.896133 15.550239\nRe Rh Br N Cl\n4 4 24 20 4\ndirect\n0.246255 0.297453 0.636948 Re\n0.753745 0.702547 0.363052 Re\n0.752059 0.716651 0.860048 Re\n0.247941 0.283349 0.139952 Re\n0.266621 0.780211 0.142354 Rh\n0.733379 0.219789 0.857646 Rh\n0.242459 0.778822 0.618028 Rh\n0.757541 0.221178 0.381972 Rh\n0.255907 0.339308 0.480553 Br\n0.744093 0.660692 0.519447 Br\n0.030255 0.157396 0.640430 Br\n0.969745 0.842604 0.359570 Br\n0.450488 0.141571 0.647270 Br\n0.549512 0.858429 0.352730 Br\n0.458176 0.447389 0.633848 Br\n0.541824 0.552611 0.366152 Br\n0.044391 0.462164 0.627018 Br\n0.955609 0.537836 0.372982 Br\n0.237335 0.262527 0.795153 Br\n0.762665 0.737473 0.204847 Br\n0.739202 0.591474 0.753535 Br\n0.260798 0.408526 0.246465 Br\n0.766180 0.895894 0.741168 Br\n0.233820 0.104106 0.258832 Br\n0.459016 0.731666 0.857824 Br\n0.540984 0.268334 0.142176 Br\n0.738526 0.530669 0.975334 Br\n0.261474 0.469331 0.024666 Br\n0.045586 0.695981 0.856662 Br\n0.954414 0.304019 0.143338 Br\n0.766348 0.835774 0.964534 Br\n0.233652 0.164226 0.035466 Br\n0.272096 0.703225 0.247025 N\n0.727904 0.296775 0.752975 N\n0.107114 0.912196 0.135015 N\n0.892886 0.087804 0.864985 N\n0.095340 0.703863 0.087306 N\n0.904660 0.296137 0.912694 N\n0.421780 0.698871 0.078092 N\n0.578220 0.301129 0.921908 N\n0.433218 0.905197 0.126683 N\n0.566782 0.094803 0.873317 N\n0.235259 0.649491 0.695672 N\n0.764741 0.350509 0.304328 N\n0.285336 0.737727 0.506769 N\n0.714664 0.262273 0.493231 N\n0.016846 0.814452 0.575436 N\n0.983154 0.185548 0.424564 N\n0.204785 0.910342 0.678574 N\n0.795215 0.089658 0.321426 N\n0.473339 0.827236 0.612391 N\n0.526661 0.172764 0.387609 N\n0.250689 0.897769 0.976222 Cl\n0.749311 0.102231 0.023778 Cl\n0.256143 0.982206 0.499309 Cl\n0.743857 0.017794 0.500691 Cl\n",
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],
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"formula_full": "Re4 Rh4 Br24 N20 Cl4",
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"spacegroup": 2
},
{
"id": "mp-984767",
"created_at": "2022-09-04T14:48:27.740345Z",
"structure_string": "Dy1 Ho1 In2\n1.0\n0.000000 3.764763 3.764763\n3.764763 0.000000 3.764763\n3.764763 3.764763 0.000000\nDy Ho In\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Dy\n0.000000 0.000000 0.000000 Ho\n0.250000 0.250000 0.250000 In\n0.750000 0.750000 0.750000 In\n",
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"spacegroup": 225
},
{
"id": "mp-559880",
"created_at": "2022-09-04T14:47:09.223343Z",
"structure_string": "K8 Ag24 Sn12 S40\n1.0\n6.443604 0.000000 0.000000\n0.000000 13.518240 0.000000\n0.000000 0.000000 24.760954\nK Ag Sn S\n8 24 12 40\ndirect\n0.074672 0.214367 0.820617 K\n0.925328 0.714367 0.820617 K\n0.425328 0.785633 0.320617 K\n0.074672 0.285633 0.179383 K\n0.425328 0.714367 0.679383 K\n0.574672 0.214367 0.679383 K\n0.925328 0.785633 0.179383 K\n0.574672 0.285633 0.320617 K\n0.418877 0.585294 0.040759 Ag\n0.550839 0.290212 0.100348 Ag\n0.491265 0.528847 0.407856 Ag\n0.050839 0.290212 0.399652 Ag\n0.949161 0.790212 0.399652 Ag\n0.491265 0.971153 0.592144 Ag\n0.991265 0.528847 0.092144 Ag\n0.581123 0.414706 0.959241 Ag\n0.550839 0.209788 0.899652 Ag\n0.581123 0.085294 0.040759 Ag\n0.449161 0.790212 0.100348 Ag\n0.918877 0.585294 0.459241 Ag\n0.918877 0.914706 0.540759 Ag\n0.081123 0.085294 0.459241 Ag\n0.508735 0.471153 0.592144 Ag\n0.008735 0.471153 0.907856 Ag\n0.991265 0.971153 0.907856 Ag\n0.418877 0.914706 0.959241 Ag\n0.008735 0.028847 0.092144 Ag\n0.949161 0.709788 0.600348 Ag\n0.508735 0.028847 0.407856 Ag\n0.081123 0.414706 0.540759 Ag\n0.449161 0.709788 0.899652 Ag\n0.050839 0.209788 0.600348 Ag\n0.550052 0.441625 0.799306 Sn\n0.475262 0.750000 0.500000 Sn\n0.050052 0.058375 0.299306 Sn\n0.050052 0.441625 0.700694 Sn\n0.024738 0.250000 0.000000 Sn\n0.949948 0.941625 0.700694 Sn\n0.449948 0.941625 0.799306 Sn\n0.550052 0.058375 0.200694 Sn\n0.449948 0.558375 0.200694 Sn\n0.975262 0.750000 0.000000 Sn\n0.524738 0.250000 0.500000 Sn\n0.949948 0.558375 0.299306 Sn\n0.302180 0.122271 0.540313 S\n0.662709 0.967478 0.121063 S\n0.197820 0.622271 0.959687 S\n0.662709 0.532522 0.878937 S\n0.410256 0.767999 0.803822 S\n0.337291 0.467478 0.121063 S\n0.261192 0.671750 0.431142 S\n0.310647 0.001824 0.711836 S\n0.589744 0.232001 0.196178 S\n0.738808 0.328250 0.568858 S\n0.802180 0.122271 0.959687 S\n0.910256 0.732001 0.303822 S\n0.197820 0.877729 0.040313 S\n0.837291 0.467478 0.378937 S\n0.589744 0.267999 0.803822 S\n0.238808 0.171750 0.068858 S\n0.302180 0.377729 0.459687 S\n0.089744 0.267999 0.696178 S\n0.337291 0.032522 0.878937 S\n0.837291 0.032522 0.621063 S\n0.761192 0.671750 0.068858 S\n0.697820 0.877729 0.459687 S\n0.162709 0.532522 0.621063 S\n0.738808 0.171750 0.431142 S\n0.910256 0.767999 0.696178 S\n0.261192 0.828250 0.568858 S\n0.689353 0.501824 0.711836 S\n0.189353 0.998176 0.211836 S\n0.162709 0.967478 0.378937 S\n0.089744 0.232001 0.303822 S\n0.810647 0.001824 0.788164 S\n0.310647 0.498176 0.288164 S\n0.802180 0.377729 0.040313 S\n0.689353 0.998176 0.288164 S\n0.410256 0.732001 0.196178 S\n0.238808 0.328250 0.931142 S\n0.697820 0.622271 0.540313 S\n0.810647 0.498176 0.211836 S\n0.189353 0.501824 0.788164 S\n0.761192 0.828250 0.931142 S\n",
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],
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"density_atomic": 0.03894600522056895,
"volume": 2156.832248243941,
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"formula_full": "K8 Ag24 Sn12 S40",
"formula_reduced": "K2Ag6Sn3S10",
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"energy": -346.39810084,
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},
{
"id": "mp-759866",
"created_at": "2022-09-04T14:46:38.910954Z",
"structure_string": "Te4 H12 C4 Cl12\n1.0\n6.687362 0.000000 0.000000\n0.000000 10.559015 0.000000\n0.000000 5.368231 9.508353\nTe H C Cl\n4 12 4 12\ndirect\n0.397082 0.322681 0.764045 Te\n0.897082 0.677319 0.735955 Te\n0.102918 0.322681 0.264045 Te\n0.602918 0.677319 0.235955 Te\n0.692775 0.180873 0.944339 H\n0.600862 0.324108 0.974899 H\n0.100862 0.675892 0.525101 H\n0.962088 0.843968 0.458503 H\n0.192775 0.819127 0.555661 H\n0.462088 0.156032 0.041497 H\n0.537912 0.843968 0.958503 H\n0.807225 0.180873 0.444339 H\n0.037912 0.156032 0.541497 H\n0.899138 0.324108 0.474899 H\n0.399138 0.675892 0.025101 H\n0.307225 0.819127 0.055661 H\n0.560283 0.233705 0.957919 C\n0.060283 0.766295 0.542081 C\n0.939717 0.233705 0.457919 C\n0.439717 0.766295 0.042081 C\n0.117222 0.161470 0.865782 Cl\n0.736511 0.497433 0.640280 Cl\n0.236511 0.502567 0.859720 Cl\n0.453470 0.846461 0.296734 Cl\n0.617222 0.838530 0.634218 Cl\n0.953470 0.153539 0.203266 Cl\n0.046530 0.846461 0.796734 Cl\n0.382778 0.161470 0.365782 Cl\n0.546530 0.153539 0.703266 Cl\n0.763489 0.497433 0.140280 Cl\n0.263489 0.502567 0.359720 Cl\n0.882778 0.838530 0.134218 Cl\n",
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"formula_full": "Te4 H12 C4 Cl12",
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{
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"created_at": "2022-09-04T14:40:18.791653Z",
"structure_string": "Rb2 Tm1 Au1 Cl6\n1.0\n0.000000 5.354559 5.354559\n5.354559 0.000000 5.354559\n5.354559 5.354559 0.000000\nRb Tm Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Tm\n0.500000 0.500000 0.500000 Au\n0.757330 0.242670 0.242670 Cl\n0.242670 0.242670 0.757330 Cl\n0.242670 0.757330 0.757330 Cl\n0.242670 0.757330 0.242670 Cl\n0.757330 0.242670 0.757330 Cl\n0.757330 0.757330 0.242670 Cl\n",
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{
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{
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"structure_string": "Na8 Ge8 Se20\n1.0\n6.760127 -6.907357 0.000000\n6.760127 6.907357 0.000000\n0.000000 0.000000 11.265983\nNa Ge Se\n8 8 20\ndirect\n0.924534 0.424059 0.750000 Na\n0.075466 0.575941 0.250000 Na\n0.575941 0.075466 0.750000 Na\n0.424059 0.924534 0.250000 Na\n0.145020 0.145020 0.500000 Na\n0.854980 0.854980 0.000000 Na\n0.854980 0.854980 0.500000 Na\n0.145020 0.145020 0.000000 Na\n0.593621 0.686457 0.750000 Ge\n0.406379 0.313543 0.250000 Ge\n0.313543 0.406379 0.750000 Ge\n0.686457 0.593621 0.250000 Ge\n0.255243 0.744757 0.919933 Ge\n0.744757 0.255243 0.419933 Ge\n0.255243 0.744757 0.580067 Ge\n0.744757 0.255243 0.080067 Ge\n0.732329 0.830251 0.250000 Se\n0.267671 0.169749 0.750000 Se\n0.169749 0.267671 0.250000 Se\n0.830251 0.732329 0.750000 Se\n0.156872 0.843128 0.087386 Se\n0.843128 0.156872 0.587386 Se\n0.156872 0.843128 0.412614 Se\n0.843128 0.156872 0.912614 Se\n0.150197 0.849803 0.750000 Se\n0.849803 0.150197 0.250000 Se\n0.499564 0.202073 0.076031 Se\n0.500436 0.797927 0.576031 Se\n0.797927 0.500436 0.423969 Se\n0.202073 0.499564 0.923969 Se\n0.500436 0.797927 0.923969 Se\n0.499564 0.202073 0.423969 Se\n0.202073 0.499564 0.576031 Se\n0.797927 0.500436 0.076031 Se\n0.558130 0.441870 0.750000 Se\n0.441870 0.558130 0.250000 Se\n",
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{
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