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{
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{
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"structure_string": "Na2 Ti4 Al10 O24\n1.0\n2.941232 0.000000 0.000000\n0.000000 9.161755 0.000000\n0.000000 0.000000 15.545202\nNa Ti Al O\n2 4 10 24\ndirect\n0.500000 0.500000 0.000000 Na\n0.500000 0.000000 0.500000 Na\n0.500000 0.729137 0.356110 Ti\n0.500000 0.270863 0.643890 Ti\n0.500000 0.770863 0.856110 Ti\n0.500000 0.229137 0.143890 Ti\n0.000000 0.000000 0.000000 Al\n0.000000 0.490577 0.800906 Al\n0.000000 0.009423 0.300906 Al\n0.000000 0.509423 0.199094 Al\n0.500000 0.191599 0.854053 Al\n0.500000 0.808401 0.145947 Al\n0.000000 0.990577 0.699094 Al\n0.500000 0.691599 0.645947 Al\n0.500000 0.308401 0.354053 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.394780 0.551439 O\n0.000000 0.136227 0.907169 O\n0.500000 0.113329 0.351997 O\n0.000000 0.363155 0.705155 O\n0.500000 0.386671 0.851997 O\n0.500000 0.613329 0.148003 O\n0.500000 0.105220 0.051439 O\n0.000000 0.863773 0.092831 O\n0.000000 0.636227 0.592831 O\n0.000000 0.863155 0.794845 O\n0.000000 0.136845 0.205155 O\n0.000000 0.134782 0.606535 O\n0.500000 0.608993 0.751835 O\n0.000000 0.865218 0.393465 O\n0.000000 0.636845 0.294845 O\n0.000000 0.634782 0.893465 O\n0.500000 0.894780 0.948561 O\n0.500000 0.108993 0.748165 O\n0.500000 0.605220 0.448561 O\n0.500000 0.891007 0.251835 O\n0.000000 0.363773 0.407169 O\n0.500000 0.391007 0.248165 O\n0.000000 0.365218 0.106535 O\n0.500000 0.886671 0.648003 O\n",
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"spacegroup": 55
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{
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"structure_string": "Rb2 Pr1 Ag1 I6\n1.0\n0.000000 6.163993 6.163993\n6.163993 0.000000 6.163993\n6.163993 6.163993 0.000000\nRb Pr Ag I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Ag\n0.753556 0.246444 0.246444 I\n0.246444 0.246444 0.753556 I\n0.246444 0.753556 0.753556 I\n0.246444 0.753556 0.246444 I\n0.753556 0.246444 0.753556 I\n0.753556 0.753556 0.246444 I\n",
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],
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"density_atomic": 0.02134929772995741,
"volume": 468.39948210418015,
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"formula_full": "Rb2 Pr1 Ag1 I6",
"formula_reduced": "Rb2PrAgI6",
"formula_anonymous": "ABC2D6",
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"updated_at": "2021-11-28T01:36:12.356000Z",
"spacegroup": 225
},
{
"id": "mp-768738",
"created_at": "2022-09-04T14:39:58.868802Z",
"structure_string": "Li6 Bi2 B4 O12\n1.0\n5.106359 0.000000 0.000000\n0.203222 7.115957 0.000000\n0.340976 2.833432 7.803091\nLi Bi B O\n6 2 4 12\ndirect\n0.178463 0.073473 0.080029 Li\n0.313823 0.948968 0.737063 Li\n0.323995 0.238020 0.373716 Li\n0.676005 0.761980 0.626284 Li\n0.686177 0.051032 0.262937 Li\n0.821537 0.926527 0.919971 Li\n0.167915 0.435987 0.713045 Bi\n0.832085 0.564013 0.286955 Bi\n0.176394 0.859973 0.434552 B\n0.337488 0.688594 0.081371 B\n0.662512 0.311406 0.918629 B\n0.823606 0.140027 0.565448 B\n0.082709 0.194330 0.582190 O\n0.247772 0.522549 0.222132 O\n0.170174 0.828854 0.982101 O\n0.294646 0.764571 0.593542 O\n0.308574 0.999296 0.304683 O\n0.391712 0.293005 0.946189 O\n0.608288 0.706995 0.053811 O\n0.691426 0.000704 0.695317 O\n0.705354 0.235429 0.406458 O\n0.829826 0.171146 0.017899 O\n0.752228 0.477451 0.777868 O\n0.917291 0.805670 0.417810 O\n",
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"elements": [
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"formula_full": "Li6 Bi2 B4 O12",
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"updated_at": "2021-11-28T01:34:51.757000Z",
"spacegroup": 2
},
{
"id": "mp-849467",
"created_at": "2022-09-04T14:39:19.148494Z",
"structure_string": "Li4 Cr4 P4 H8 O20\n1.0\n5.045815 0.000000 0.000000\n0.000000 8.296715 0.000000\n0.000000 0.000000 10.545803\nLi Cr P H O\n4 4 4 8 20\ndirect\n0.714094 0.307901 0.193021 Li\n0.214094 0.807901 0.306979 Li\n0.714094 0.192099 0.693021 Li\n0.214094 0.692099 0.806979 Li\n0.264831 0.105968 0.102342 Cr\n0.764831 0.605968 0.397658 Cr\n0.264831 0.394032 0.602342 Cr\n0.764831 0.894032 0.897658 Cr\n0.693292 0.914793 0.188509 P\n0.193292 0.414793 0.311491 P\n0.693292 0.585207 0.688509 P\n0.193292 0.085207 0.811491 P\n0.333166 0.532221 0.995934 H\n0.166657 0.673949 0.049781 H\n0.666657 0.173949 0.450219 H\n0.833166 0.032221 0.504066 H\n0.333166 0.967779 0.495934 H\n0.166657 0.826051 0.549781 H\n0.666657 0.326051 0.950219 H\n0.833166 0.467779 0.004066 H\n0.665765 0.407917 0.017971 O\n0.539909 0.873610 0.061728 O\n0.590247 0.089113 0.218719 O\n0.994872 0.908216 0.170335 O\n0.103437 0.300566 0.203397 O\n0.603437 0.800566 0.296603 O\n0.494872 0.408216 0.329665 O\n0.090247 0.589113 0.281281 O\n0.039909 0.373610 0.438272 O\n0.165765 0.907917 0.482029 O\n0.665765 0.092083 0.517971 O\n0.539909 0.626390 0.561728 O\n0.590247 0.410887 0.718719 O\n0.994872 0.591784 0.670335 O\n0.103437 0.199434 0.703397 O\n0.603437 0.699434 0.796603 O\n0.494872 0.091784 0.829665 O\n0.090247 0.910887 0.781281 O\n0.039909 0.126390 0.938272 O\n0.165765 0.592083 0.982029 O\n",
"nsites": 40,
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"elements": [
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"formula_full": "Li4 Cr4 P4 H8 O20",
"formula_reduced": "LiCrPH2O5",
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"spacegroup": 33
},
{
"id": "mp-1173598",
"created_at": "2022-09-04T14:40:14.171360Z",
"structure_string": "Sr15 La2 Cl36\n1.0\n4.326368 0.000111 2.497989\n1.442227 4.078902 2.497989\n-0.174175 -0.123160 85.232705\nSr La Cl\n15 2 36\ndirect\n0.992757 0.992757 0.001270 Sr\n0.997564 0.997564 0.059251 Sr\n0.000827 0.000827 0.117504 Sr\n0.001032 0.001032 0.176292 Sr\n0.000803 0.000803 0.235151 Sr\n0.000741 0.000741 0.352813 Sr\n0.000764 0.000764 0.293982 Sr\n0.000731 0.000731 0.411634 Sr\n0.000819 0.000819 0.470442 Sr\n0.001056 0.001056 0.529228 Sr\n0.001208 0.001208 0.588025 Sr\n0.000322 0.000322 0.705823 Sr\n0.000622 0.000622 0.646950 Sr\n0.002221 0.002221 0.764317 Sr\n0.996060 0.996060 0.883037 Sr\n0.975861 0.975861 0.827824 La\n0.976000 0.976000 0.945380 La\n0.237979 0.237979 0.016824 Cl\n0.247530 0.247530 0.073965 Cl\n0.249399 0.249399 0.132458 Cl\n0.746659 0.746659 0.044704 Cl\n0.249635 0.249635 0.191240 Cl\n0.748227 0.748227 0.103254 Cl\n0.749845 0.749845 0.161795 Cl\n0.249498 0.249498 0.250087 Cl\n0.749897 0.749897 0.220611 Cl\n0.249405 0.249405 0.308930 Cl\n0.749800 0.749800 0.279446 Cl\n0.249401 0.249401 0.367755 Cl\n0.249439 0.249439 0.426568 Cl\n0.749720 0.749720 0.338287 Cl\n0.249587 0.249587 0.485369 Cl\n0.749718 0.749718 0.397113 Cl\n0.249691 0.249691 0.544175 Cl\n0.749810 0.749810 0.455916 Cl\n0.749947 0.749947 0.514716 Cl\n0.249459 0.249459 0.603036 Cl\n0.749983 0.749983 0.573538 Cl\n0.248961 0.248961 0.661948 Cl\n0.749513 0.749513 0.632440 Cl\n0.250480 0.250480 0.720502 Cl\n0.241097 0.241097 0.780990 Cl\n0.749193 0.749193 0.691317 Cl\n0.750468 0.750468 0.749921 Cl\n0.285907 0.285907 0.831919 Cl\n0.517175 0.517175 0.849909 Cl\n0.765069 0.765069 0.806177 Cl\n0.229791 0.229791 0.900612 Cl\n0.736549 0.736549 0.870016 Cl\n0.285324 0.285324 0.949633 Cl\n0.518198 0.518198 0.967374 Cl\n0.764098 0.764098 0.923976 Cl\n0.734159 0.734159 0.988084 Cl\n",
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"volume": 1506.7354462175722,
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"formula_full": "Sr15 La2 Cl36",
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{
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"created_at": "2022-09-04T14:43:41.040981Z",
"structure_string": "Bi14 W1 O24\n1.0\n-8.919163 0.000000 0.000000\n-0.003731 -8.920701 0.000000\n4.417796 4.446862 8.592973\nBi W O\n14 1 24\ndirect\n0.060372 0.867594 0.340251 Bi\n0.530771 0.946169 0.666965 Bi\n0.658431 0.655288 0.317081 Bi\n0.132890 0.727639 0.668326 Bi\n0.556584 0.782931 0.001814 Bi\n0.283574 0.477018 0.345641 Bi\n0.725807 0.533413 0.668248 Bi\n0.214982 0.558278 0.001094 Bi\n0.867422 0.282888 0.338868 Bi\n0.341249 0.341515 0.679624 Bi\n0.779625 0.439784 0.998720 Bi\n0.477394 0.064287 0.345713 Bi\n0.943949 0.134057 0.664775 Bi\n0.436803 0.214384 0.996882 Bi\n0.023164 0.025109 0.041796 W\n0.974609 0.799288 0.974995 O\n0.672690 0.003000 0.506833 O\n0.457146 0.762562 0.158035 O\n0.759215 0.700765 0.159066 O\n0.998678 0.829926 0.501490 O\n0.380293 0.889562 0.770060 O\n0.119240 0.617613 0.235483 O\n0.503154 0.674159 0.502897 O\n0.397380 0.460450 0.159521 O\n0.698164 0.404537 0.160402 O\n0.174677 0.511797 0.509346 O\n0.823711 0.503345 0.496419 O\n0.300578 0.604742 0.843016 O\n0.599326 0.540752 0.840572 O\n0.832760 0.107660 0.987393 O\n0.506580 0.333702 0.509457 O\n0.884548 0.383460 0.768181 O\n0.619971 0.118112 0.235218 O\n0.132411 0.126364 0.253016 O\n0.996513 0.173375 0.502452 O\n0.239843 0.302453 0.839403 O\n0.535902 0.241511 0.835343 O\n0.330706 0.001052 0.504505 O\n0.157389 0.074958 0.968100 O\n",
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{
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