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{
"id": "mp-1522073",
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"structure_string": "Ba4 Sr4 Sm4 Nb4 O24\n1.0\n8.530866 0.000000 0.000000\n0.000000 8.537057 0.000000\n0.000000 0.000000 8.539439\nBa Sr Sm Nb O\n4 4 4 4 24\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.000000 0.500000 -0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.500000 0.000000 -0.000000 Sr\n0.251650 0.250444 0.251993 Sm\n0.748350 0.749556 0.251993 Sm\n0.748350 0.250444 0.748007 Sm\n0.251650 0.749556 0.748007 Sm\n0.746501 0.749107 0.750098 Nb\n0.253499 0.250893 0.750098 Nb\n0.253499 0.749107 0.249902 Nb\n0.746501 0.250893 0.249902 Nb\n0.982201 0.221638 0.273580 O\n0.017799 0.778362 0.273580 O\n0.017799 0.221638 0.726420 O\n0.982201 0.778362 0.726420 O\n0.285179 0.983149 0.217650 O\n0.285179 0.016851 0.782350 O\n0.714821 0.016851 0.217650 O\n0.714821 0.983149 0.782350 O\n0.225321 0.277815 0.984236 O\n0.774679 0.277815 0.015764 O\n0.225321 0.722185 0.015764 O\n0.774679 0.722185 0.984236 O\n0.516543 0.293881 0.217376 O\n0.483457 0.706119 0.217376 O\n0.483457 0.293881 0.782624 O\n0.516543 0.706119 0.782624 O\n0.219509 0.517342 0.291035 O\n0.219509 0.482658 0.708965 O\n0.780491 0.482658 0.291035 O\n0.780491 0.517342 0.708965 O\n0.289617 0.213518 0.518871 O\n0.710383 0.213518 0.481129 O\n0.289617 0.786482 0.481129 O\n0.710383 0.786482 0.518871 O\n",
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{
"id": "mp-1245953",
"created_at": "2022-09-04T14:46:53.572113Z",
"structure_string": "Sn28 Ge4 N24\n1.0\n12.400486 0.000000 0.000000\n0.000000 7.019558 0.000000\n0.000000 0.000000 12.189630\nSn Ge N\n28 4 24\ndirect\n0.001790 0.765674 0.031759 Sn\n0.498210 0.734326 0.531759 Sn\n0.501790 0.734326 0.968241 Sn\n0.998210 0.765674 0.468241 Sn\n0.998210 0.234326 0.968241 Sn\n0.501790 0.265674 0.468241 Sn\n0.498210 0.265674 0.031759 Sn\n0.001790 0.234326 0.531759 Sn\n0.214823 0.804026 0.626656 Sn\n0.285177 0.695974 0.126656 Sn\n0.714823 0.695974 0.373344 Sn\n0.785177 0.804026 0.873344 Sn\n0.785177 0.195974 0.373344 Sn\n0.714823 0.304026 0.873344 Sn\n0.285177 0.304026 0.626656 Sn\n0.214823 0.195974 0.126656 Sn\n0.255162 0.538888 0.857666 Sn\n0.244838 0.961112 0.357666 Sn\n0.755162 0.961112 0.142334 Sn\n0.744838 0.538888 0.642334 Sn\n0.744838 0.461112 0.142334 Sn\n0.755162 0.038888 0.642334 Sn\n0.244838 0.038888 0.857666 Sn\n0.255162 0.461112 0.357666 Sn\n0.000000 0.422611 0.750000 Sn\n0.500000 0.077389 0.250000 Sn\n0.000000 0.577389 0.250000 Sn\n0.500000 0.922611 0.750000 Sn\n0.000000 0.843958 0.750000 Ge\n0.500000 0.656042 0.250000 Ge\n0.000000 0.156042 0.250000 Ge\n0.500000 0.343958 0.750000 Ge\n0.112836 0.656381 0.759652 N\n0.387164 0.843619 0.259652 N\n0.612836 0.843619 0.240348 N\n0.887164 0.656381 0.740348 N\n0.887164 0.343619 0.240348 N\n0.612836 0.156381 0.740348 N\n0.387164 0.156381 0.759652 N\n0.112836 0.343619 0.259652 N\n0.178335 0.711488 0.457466 N\n0.321665 0.788512 0.957466 N\n0.678335 0.788512 0.542534 N\n0.821665 0.711488 0.042534 N\n0.821665 0.288512 0.542534 N\n0.678335 0.211488 0.042534 N\n0.321665 0.211488 0.457466 N\n0.178335 0.288512 0.957466 N\n0.460483 0.451140 0.614004 N\n0.039517 0.048860 0.114003 N\n0.960483 0.048860 0.385997 N\n0.539517 0.451140 0.885996 N\n0.539517 0.548860 0.385997 N\n0.960483 0.951140 0.885996 N\n0.039517 0.951140 0.614004 N\n0.460483 0.548860 0.114003 N\n",
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],
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"formula_full": "Sn28 Ge4 N24",
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},
{
"id": "mp-1521789",
"created_at": "2022-09-04T14:41:11.477603Z",
"structure_string": "Ba4 Sr4 La4 Nb4 O24\n1.0\n8.656975 0.000000 0.000000\n0.000000 8.672092 0.000000\n0.000000 0.000000 8.656631\nBa Sr La Nb O\n4 4 4 4 24\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.000000 0.000000 0.500000 Ba\n0.000000 0.500000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.500000 0.000000 0.000000 Sr\n0.000000 0.500000 0.000000 Sr\n0.749408 0.748078 0.752419 La\n0.250592 0.251922 0.752419 La\n0.250592 0.748078 0.247581 La\n0.749408 0.251922 0.247581 La\n0.248744 0.253916 0.247314 Nb\n0.751256 0.746084 0.247314 Nb\n0.751256 0.253916 0.752686 Nb\n0.248744 0.746084 0.752686 Nb\n0.020014 0.213522 0.275609 O\n0.979986 0.786478 0.275609 O\n0.979986 0.213522 0.724391 O\n0.020014 0.786478 0.724391 O\n0.286596 0.023366 0.206993 O\n0.286596 0.976634 0.793007 O\n0.713404 0.976634 0.206993 O\n0.713404 0.023366 0.793007 O\n0.207710 0.292525 0.019497 O\n0.792290 0.292525 0.980503 O\n0.207710 0.707475 0.980503 O\n0.792290 0.707475 0.019497 O\n0.478239 0.295317 0.211115 O\n0.521761 0.704683 0.211115 O\n0.521761 0.295317 0.788885 O\n0.478239 0.704683 0.788885 O\n0.212255 0.481301 0.292559 O\n0.212255 0.518699 0.707441 O\n0.787745 0.518699 0.292559 O\n0.787745 0.481301 0.707441 O\n0.283810 0.221896 0.477675 O\n0.716190 0.221896 0.522325 O\n0.283810 0.778104 0.522325 O\n0.716190 0.778104 0.477675 O\n",
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"formula_full": "Ba4 Sr4 La4 Nb4 O24",
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"spacegroup": 16
},
{
"id": "mp-570669",
"created_at": "2022-09-04T14:47:56.567154Z",
"structure_string": "Sm12 Ge24 Pt16\n1.0\n4.414396 0.000000 0.000000\n0.000000 8.869259 0.000000\n0.000000 0.000000 26.401103\nSm Ge Pt\n12 24 16\ndirect\n0.250000 0.113488 0.592252 Sm\n0.750000 0.125706 0.280106 Sm\n0.750000 0.613488 0.907748 Sm\n0.750000 0.364651 0.407180 Sm\n0.750000 0.886512 0.407748 Sm\n0.750000 0.374294 0.780106 Sm\n0.750000 0.135349 0.907180 Sm\n0.250000 0.635349 0.592820 Sm\n0.250000 0.386512 0.092252 Sm\n0.250000 0.874294 0.719894 Sm\n0.250000 0.625706 0.219894 Sm\n0.250000 0.864651 0.092820 Sm\n0.750000 0.022178 0.784269 Ge\n0.750000 0.625890 0.138545 Ge\n0.250000 0.374110 0.861455 Ge\n0.250000 0.627322 0.997359 Ge\n0.250000 0.273122 0.215448 Ge\n0.250000 0.522178 0.715731 Ge\n0.750000 0.726878 0.784552 Ge\n0.750000 0.372678 0.002641 Ge\n0.750000 0.126390 0.142064 Ge\n0.250000 0.226878 0.715448 Ge\n0.750000 0.773122 0.284552 Ge\n0.250000 0.626390 0.357936 Ge\n0.750000 0.477822 0.284269 Ge\n0.750000 0.874110 0.638545 Ge\n0.250000 0.121944 0.001420 Ge\n0.250000 0.378056 0.501420 Ge\n0.250000 0.125890 0.361455 Ge\n0.750000 0.878056 0.998580 Ge\n0.250000 0.977822 0.215731 Ge\n0.750000 0.127322 0.502641 Ge\n0.750000 0.373610 0.642064 Ge\n0.750000 0.621944 0.498580 Ge\n0.250000 0.873610 0.857936 Ge\n0.250000 0.872678 0.497359 Ge\n0.750000 0.376992 0.187741 Pt\n0.250000 0.375110 0.312306 Pt\n0.750000 0.870783 0.544466 Pt\n0.750000 0.123008 0.687741 Pt\n0.250000 0.876992 0.312259 Pt\n0.750000 0.121614 0.049674 Pt\n0.250000 0.621614 0.450326 Pt\n0.250000 0.124890 0.812306 Pt\n0.250000 0.370783 0.955534 Pt\n0.750000 0.629217 0.044466 Pt\n0.750000 0.378386 0.549674 Pt\n0.250000 0.878386 0.950326 Pt\n0.250000 0.129217 0.455534 Pt\n0.750000 0.624890 0.687694 Pt\n0.250000 0.623008 0.812259 Pt\n0.750000 0.875110 0.187694 Pt\n",
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},
{
"id": "mp-782650",
"created_at": "2022-09-04T14:39:33.248747Z",
"structure_string": "Li4 Mn4 P8 O28\n1.0\n7.895325 0.000000 0.000000\n0.000000 7.289302 0.000000\n0.000000 2.674229 8.874804\nLi Mn P O\n4 4 8 28\ndirect\n0.490067 0.686766 0.792361 Li\n0.009933 0.686766 0.292361 Li\n0.990067 0.313234 0.707639 Li\n0.509933 0.313234 0.207639 Li\n0.008367 0.722711 0.757486 Mn\n0.491633 0.722711 0.257486 Mn\n0.508367 0.277289 0.742514 Mn\n0.991633 0.277289 0.242514 Mn\n0.269375 0.897142 0.960790 P\n0.230625 0.897142 0.460790 P\n0.723542 0.678084 0.543179 P\n0.223542 0.321916 0.956821 P\n0.776458 0.678084 0.043179 P\n0.276458 0.321916 0.456821 P\n0.769375 0.102858 0.539210 P\n0.730625 0.102858 0.039210 P\n0.613435 0.194122 0.588036 O\n0.425865 0.912702 0.863766 O\n0.699720 0.890113 0.555724 O\n0.787626 0.682587 0.876513 O\n0.207695 0.797949 0.630786 O\n0.886565 0.194122 0.088036 O\n0.074135 0.912702 0.363766 O\n0.585865 0.565956 0.644221 O\n0.800280 0.890113 0.055724 O\n0.403473 0.388469 0.894413 O\n0.712374 0.682587 0.376513 O\n0.292305 0.797949 0.130786 O\n0.903473 0.611531 0.605587 O\n0.085865 0.434044 0.855779 O\n0.914135 0.565956 0.144221 O\n0.096527 0.388469 0.394413 O\n0.707695 0.202051 0.869214 O\n0.287626 0.317413 0.623487 O\n0.596527 0.611531 0.105587 O\n0.199720 0.109887 0.944276 O\n0.414135 0.434044 0.355779 O\n0.925865 0.087298 0.636234 O\n0.113435 0.805878 0.911964 O\n0.792305 0.202051 0.369214 O\n0.212374 0.317413 0.123487 O\n0.300280 0.109887 0.444276 O\n0.574135 0.087298 0.136234 O\n0.386565 0.805878 0.411964 O\n",
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"formula_full": "Li4 Mn4 P8 O28",
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},
{
"id": "mp-850255",
"created_at": "2022-09-04T14:42:08.577336Z",
"structure_string": "Li2 Fe2 P6 H16 O26\n1.0\n7.597055 0.000000 0.000000\n-2.539167 8.245405 0.000000\n-0.188581 -1.974675 9.393354\nLi Fe P H O\n2 2 6 16 26\ndirect\n0.285971 0.598241 0.691204 Li\n0.714029 0.401759 0.308796 Li\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.284362 0.275153 0.939884 P\n0.802252 0.644506 0.757328 P\n0.989924 0.001597 0.779733 P\n0.010076 0.998403 0.220267 P\n0.197748 0.355494 0.242672 P\n0.715638 0.724847 0.060116 P\n0.798794 0.187369 0.947721 H\n0.661453 0.295774 0.964070 H\n0.466391 0.094711 0.770009 H\n0.809944 0.311044 0.632296 H\n0.611133 0.994704 0.753753 H\n0.242226 0.131584 0.581175 H\n0.886455 0.175020 0.544967 H\n0.344566 0.247178 0.474422 H\n0.655434 0.752822 0.525578 H\n0.113545 0.824980 0.455033 H\n0.757774 0.868416 0.418825 H\n0.388867 0.005296 0.246247 H\n0.190056 0.688956 0.367704 H\n0.533609 0.905289 0.229991 H\n0.338547 0.704226 0.035930 H\n0.201206 0.812631 0.052279 H\n0.780563 0.289829 0.006848 O\n0.148371 0.086570 0.910736 O\n0.183405 0.384642 0.890951 O\n0.465728 0.276237 0.881562 O\n0.812819 0.031184 0.824725 O\n0.679562 0.685448 0.888553 O\n0.886727 0.511023 0.777665 O\n0.058668 0.045436 0.643271 O\n0.978195 0.810119 0.777691 O\n0.485833 0.991220 0.714888 O\n0.679713 0.619904 0.625326 O\n0.789619 0.229182 0.541269 O\n0.363399 0.177900 0.541451 O\n0.636601 0.822100 0.458549 O\n0.210381 0.770818 0.458731 O\n0.320287 0.380096 0.374674 O\n0.514167 0.008780 0.285112 O\n0.021805 0.189881 0.222309 O\n0.941332 0.954564 0.356729 O\n0.113273 0.488977 0.222335 O\n0.320438 0.314552 0.111447 O\n0.187181 0.968816 0.175275 O\n0.534272 0.723763 0.118438 O\n0.816595 0.615358 0.109049 O\n0.851629 0.913430 0.089264 O\n0.219437 0.710171 0.993152 O\n",
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"formula_full": "Li2 Fe2 P6 H16 O26",
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},
{
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