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{
"id": "mp-1226820",
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"structure_string": "Cd5 Te1 S4\n1.0\n-2.151233 2.151233 15.083664\n2.151233 -2.151233 15.083664\n2.151233 2.151233 -15.083664\nCd Te S\n5 1 4\ndirect\n0.809429 0.809429 0.000000 Cd\n0.190571 0.190571 0.000000 Cd\n0.595922 0.595922 0.000000 Cd\n0.000000 0.000000 0.000000 Cd\n0.404078 0.404078 0.000000 Cd\n0.750000 0.250000 0.500000 Te\n0.143208 0.643208 0.500000 S\n0.548239 0.048239 0.500000 S\n0.951761 0.451761 0.500000 S\n0.356792 0.856792 0.500000 S\n",
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{
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"structure_string": "La1 Ni2 Ge2\n1.0\n-2.101215 2.101215 4.959227\n2.101215 -2.101215 4.959227\n2.101215 2.101215 -4.959227\nLa Ni Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 La\n0.250000 0.750000 0.500000 Ni\n0.750000 0.250000 0.500000 Ni\n0.634318 0.634318 0.000000 Ge\n0.365682 0.365682 0.000000 Ge\n",
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{
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"structure_string": "Li8 Ti1 Ni7 O16\n1.0\n6.478833 0.000000 0.000000\n2.004232 6.200476 0.000000\n3.231316 0.963934 6.927259\nLi Ti Ni O\n8 1 7 16\ndirect\n0.323214 0.180159 0.068713 Li\n0.187698 0.311992 0.444301 Li\n0.942867 0.550844 0.190062 Li\n0.559660 0.929516 0.314098 Li\n0.442583 0.069838 0.684095 Li\n0.065120 0.447497 0.807139 Li\n0.810958 0.690139 0.557467 Li\n0.677235 0.813537 0.929461 Li\n0.999901 0.003918 0.989438 Ti\n0.623455 0.373766 0.126736 Ni\n0.127107 0.872031 0.622057 Ni\n0.250226 0.748081 0.251590 Ni\n0.877280 0.124610 0.374193 Ni\n0.497539 0.499020 0.500708 Ni\n0.750799 0.251487 0.747749 Ni\n0.376158 0.624675 0.875053 Ni\n0.673322 0.081369 0.030694 O\n0.287349 0.488978 0.154423 O\n0.965363 0.259466 0.107469 O\n0.567221 0.645755 0.243832 O\n0.540032 0.237574 0.406908 O\n0.212192 0.012445 0.343116 O\n0.179806 0.587655 0.529218 O\n0.927309 0.851296 0.271104 O\n0.090081 0.151464 0.732495 O\n0.819961 0.404353 0.467282 O\n0.797274 0.982753 0.632410 O\n0.462205 0.756452 0.592877 O\n0.416219 0.366007 0.763686 O\n0.046894 0.722340 0.909145 O\n0.694205 0.529927 0.852788 O\n0.335059 0.901869 0.962677 O\n",
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"formula_full": "Li8 Ti1 Ni7 O16",
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"spacegroup": 1
},
{
"id": "mp-1228942",
"created_at": "2022-09-04T14:45:07.888958Z",
"structure_string": "Cs2 Cu2 Rh2 F12\n1.0\n-3.698135 3.737914 5.373647\n3.698135 -3.737914 5.373647\n3.698135 3.737914 -5.373647\nCs Cu Rh F\n2 2 2 12\ndirect\n0.368637 0.618637 0.750000 Cs\n0.631363 0.381363 0.250000 Cs\n0.000000 0.000000 0.500000 Cu\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.000000 Rh\n0.500000 0.000000 0.500000 Rh\n0.325298 0.075298 0.250000 F\n0.936590 0.686590 0.250000 F\n0.332017 0.679386 0.255327 F\n0.924059 0.076690 0.244673 F\n0.332017 0.076690 0.652631 F\n0.924059 0.679386 0.847369 F\n0.674702 0.924702 0.750000 F\n0.063410 0.313410 0.750000 F\n0.667983 0.320614 0.744673 F\n0.075941 0.923310 0.755327 F\n0.667983 0.923310 0.347369 F\n0.075941 0.320614 0.152631 F\n",
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"density": 4.620118148213856,
"density_atomic": 0.060580285237455754,
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{
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"created_at": "2022-09-04T14:45:07.898895Z",
"structure_string": "Zn4 Fe8 O16\n1.0\n2.949956 0.000000 0.000000\n0.000000 9.736397 0.000000\n0.000000 0.000000 10.069874\nZn Fe O\n4 8 16\ndirect\n0.198997 0.361647 0.250000 Zn\n0.198997 0.138353 0.750000 Zn\n0.801003 0.861647 0.250000 Zn\n0.801003 0.638353 0.750000 Zn\n0.736248 0.118426 0.425820 Fe\n0.736248 0.381574 0.925820 Fe\n0.263752 0.881574 0.925820 Fe\n0.736248 0.381574 0.574180 Fe\n0.263752 0.881574 0.574180 Fe\n0.736248 0.118426 0.074180 Fe\n0.263752 0.618426 0.074180 Fe\n0.263752 0.618426 0.425820 Fe\n0.239175 0.980400 0.113225 O\n0.760825 0.019600 0.886775 O\n0.235081 0.250000 0.000000 O\n0.760825 0.480400 0.113225 O\n0.760825 0.480400 0.386775 O\n0.706152 0.285159 0.750000 O\n0.239175 0.519600 0.886775 O\n0.293848 0.785159 0.750000 O\n0.235081 0.250000 0.500000 O\n0.764919 0.750000 0.000000 O\n0.239175 0.980400 0.386775 O\n0.293848 0.714841 0.250000 O\n0.706152 0.214841 0.250000 O\n0.764919 0.750000 0.500000 O\n0.239175 0.519600 0.613225 O\n0.760825 0.019600 0.613225 O\n",
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{
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"created_at": "2022-09-04T14:45:07.908378Z",
"structure_string": "Mn2 Nb1 V3 P6 O24\n1.0\n7.561539 -4.363168 0.000000\n7.561539 4.363168 0.000000\n5.043898 0.000000 7.125532\nMn Nb V P O\n2 1 3 6 24\ndirect\n0.995726 0.995726 0.995726 Mn\n0.499451 0.499451 0.499451 Mn\n0.143755 0.143755 0.143755 Nb\n0.643217 0.643217 0.643217 V\n0.854745 0.854745 0.854745 V\n0.356882 0.356882 0.356882 V\n0.956305 0.252599 0.548179 P\n0.548179 0.956305 0.252599 P\n0.252599 0.548179 0.956305 P\n0.744700 0.462041 0.041566 P\n0.462041 0.041566 0.744700 P\n0.041566 0.744700 0.462041 P\n0.506247 0.114890 0.307559 O\n0.307559 0.506247 0.114890 O\n0.114890 0.307559 0.506247 O\n0.939937 0.086545 0.736016 O\n0.001061 0.191372 0.382801 O\n0.764467 0.411934 0.556543 O\n0.736016 0.939937 0.086545 O\n0.556543 0.764467 0.411933 O\n0.808372 0.614883 0.005803 O\n0.411934 0.556543 0.764467 O\n0.912800 0.265020 0.061417 O\n0.614883 0.005803 0.808372 O\n0.382801 0.001061 0.191372 O\n0.086545 0.736016 0.939937 O\n0.587560 0.440035 0.235757 O\n0.191372 0.382801 0.001061 O\n0.440035 0.235757 0.587560 O\n0.265020 0.061417 0.912800 O\n0.235757 0.587560 0.440035 O\n0.005803 0.808372 0.614883 O\n0.061417 0.912800 0.265020 O\n0.883201 0.694570 0.492057 O\n0.694570 0.492057 0.883201 O\n0.492057 0.883201 0.694570 O\n",
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{
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{
"id": "mp-863437",
"created_at": "2022-09-04T14:45:07.969343Z",
"structure_string": "Li9 V5 Si10 O32\n1.0\n5.651567 5.746294 0.000000\n-5.651567 5.746294 0.000000\n0.000000 0.249126 8.107035\nLi V Si O\n9 5 10 32\ndirect\n0.493292 0.746405 0.633610 Li\n0.253595 0.506708 0.366390 Li\n0.753912 0.003885 0.376659 Li\n0.498145 0.255239 0.117200 Li\n0.006638 0.741920 0.122280 Li\n0.375490 0.624510 0.000000 Li\n0.258080 0.993362 0.877720 Li\n0.744761 0.501855 0.882800 Li\n0.996115 0.246088 0.623341 Li\n0.865860 0.628053 0.510182 V\n0.128101 0.871899 0.500000 V\n0.371947 0.134140 0.489818 V\n0.870436 0.376451 0.247682 V\n0.623549 0.129564 0.752318 V\n0.611521 0.388479 0.500000 Si\n0.615437 0.631019 0.249200 Si\n0.380271 0.877418 0.236815 Si\n0.132825 0.119039 0.232943 Si\n0.630369 0.868338 0.008825 Si\n0.883939 0.116061 0.000000 Si\n0.131662 0.369631 0.991175 Si\n0.880961 0.867175 0.767057 Si\n0.122582 0.619729 0.763185 Si\n0.368981 0.384563 0.750800 Si\n0.878738 0.874429 0.546447 O\n0.387570 0.380715 0.521180 O\n0.619402 0.164525 0.505766 O\n0.373616 0.889872 0.463809 O\n0.110128 0.626384 0.536191 O\n0.835475 0.380598 0.494234 O\n0.619285 0.612430 0.478820 O\n0.125571 0.121262 0.453553 O\n0.842455 0.620004 0.259298 O\n0.355503 0.105517 0.238150 O\n0.154726 0.892891 0.239596 O\n0.906343 0.118598 0.222146 O\n0.612578 0.406017 0.272998 O\n0.397323 0.660689 0.249100 O\n0.615023 0.865488 0.237265 O\n0.129086 0.345985 0.212084 O\n0.633728 0.651241 0.033116 O\n0.112303 0.132353 0.007177 O\n0.896243 0.338827 0.996855 O\n0.114005 0.585122 0.979856 O\n0.414878 0.885995 0.020144 O\n0.661173 0.103757 0.003145 O\n0.867647 0.887697 0.992823 O\n0.348759 0.366272 0.966884 O\n0.654015 0.870914 0.787916 O\n0.134512 0.384977 0.762735 O\n0.339311 0.602677 0.750900 O\n0.593983 0.387422 0.727002 O\n0.881402 0.093657 0.777854 O\n0.107109 0.845274 0.760404 O\n0.894483 0.644497 0.761850 O\n0.379996 0.157545 0.740702 O\n",
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"formula_full": "Li9 V5 Si10 O32",
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{
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"structure_string": "Lu3 Tl2 Cu5 Se8\n1.0\n2.032361 7.160005 0.000000\n-2.032361 7.160005 0.000000\n0.000000 5.164654 13.759577\nLu Tl Cu Se\n3 2 5 8\ndirect\n0.035372 0.035372 0.592689 Lu\n0.336327 0.336327 0.825764 Lu\n0.200100 0.200100 0.209933 Lu\n0.008540 0.008540 0.009733 Tl\n0.358757 0.358757 0.415331 Tl\n0.727748 0.727748 0.016811 Cu\n0.651535 0.651535 0.401150 Cu\n0.982979 0.982979 0.240593 Cu\n0.783598 0.783598 0.671822 Cu\n0.588149 0.588149 0.748589 Cu\n0.577842 0.577842 0.165368 Se\n0.325419 0.325419 0.016796 Se\n0.694450 0.694450 0.853032 Se\n0.808332 0.808332 0.257895 Se\n0.053215 0.053215 0.396720 Se\n0.676987 0.676987 0.566768 Se\n0.386789 0.386789 0.622853 Se\n0.985922 0.985922 0.795322 Se\n",
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{
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{
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{
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"formula_full": "Ho6 Cu2 Ge2 S14",
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]
}