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{
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{
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"structure_string": "Li4 Ti6 O14\n1.0\n3.794958 0.000000 0.000000\n0.000000 7.846332 0.000000\n0.000000 1.501048 9.208910\nLi Ti O\n4 6 14\ndirect\n0.250000 0.698213 0.414845 Li\n0.250000 0.490686 0.856662 Li\n0.750000 0.509314 0.143338 Li\n0.750000 0.301787 0.585155 Li\n0.750000 0.842625 0.975785 Ti\n0.750000 0.956305 0.278083 Ti\n0.750000 0.725321 0.668962 Ti\n0.250000 0.274679 0.331038 Ti\n0.250000 0.043695 0.721917 Ti\n0.250000 0.157375 0.024215 Ti\n0.250000 0.909452 0.948214 O\n0.250000 0.007627 0.249806 O\n0.750000 0.819037 0.452406 O\n0.250000 0.791566 0.674024 O\n0.750000 0.643597 0.899103 O\n0.750000 0.760180 0.170569 O\n0.750000 0.510974 0.652761 O\n0.250000 0.489026 0.347239 O\n0.250000 0.239820 0.829431 O\n0.250000 0.356403 0.100897 O\n0.750000 0.208434 0.325976 O\n0.250000 0.180963 0.547594 O\n0.750000 0.992373 0.750194 O\n0.750000 0.090548 0.051786 O\n",
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{
"id": "mp-1208497",
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"structure_string": "Sr2 Zn1 P2 F1\n1.0\n3.578033 0.000000 0.000000\n0.000000 3.578033 0.000000\n0.000000 0.000000 14.827088\nSr Zn P F\n2 1 2 1\ndirect\n0.500000 0.500000 0.654213 Sr\n0.500000 0.500000 0.345787 Sr\n0.500000 0.500000 0.000000 Zn\n0.500000 0.500000 0.149485 P\n0.500000 0.500000 0.850515 P\n0.500000 0.500000 0.500000 F\n",
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{
"id": "mp-1175255",
"created_at": "2022-09-04T14:39:45.167295Z",
"structure_string": "Li7 Mn4 Co1 O12\n1.0\n-3.003410 0.000000 0.000000\n1.066382 7.569930 0.000000\n-0.341401 -2.999525 -9.708629\nLi Mn Co O\n7 4 1 12\ndirect\n0.826034 0.661846 0.747285 Li\n0.159862 0.331378 0.250344 Li\n0.508941 0.002367 0.744870 Li\n0.163113 0.333949 0.745004 Li\n0.500082 0.998388 0.261752 Li\n0.846965 0.678188 0.257464 Li\n0.990785 0.994544 0.491937 Li\n0.999937 0.999944 0.999839 Mn\n0.337997 0.672796 0.499427 Mn\n0.667307 0.333161 0.999044 Mn\n0.333779 0.667119 0.000996 Mn\n0.664099 0.321797 0.504011 Co\n0.382826 0.830260 0.882196 O\n0.778523 0.510997 0.398242 O\n0.049083 0.161300 0.879624 O\n0.718276 0.498826 0.883211 O\n0.072991 0.187763 0.386698 O\n0.401933 0.816220 0.382319 O\n0.271773 0.495733 0.610855 O\n0.614562 0.170200 0.116714 O\n0.880595 0.809429 0.608435 O\n0.599541 0.186797 0.615692 O\n0.949733 0.837208 0.117764 O\n0.281263 0.499791 0.116277 O\n",
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{
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"structure_string": "Ca2 Ni8 O12\n1.0\n1.511677 -4.901135 0.000000\n1.511677 4.901135 0.000000\n0.000000 0.000000 15.090599\nCa Ni O\n2 8 12\ndirect\n0.344201 0.655799 0.750000 Ca\n0.655799 0.344201 0.250000 Ca\n0.136764 0.863236 0.041814 Ni\n0.590719 0.409281 0.630788 Ni\n0.863236 0.136764 0.958186 Ni\n0.409281 0.590719 0.369212 Ni\n0.136764 0.863236 0.458186 Ni\n0.863236 0.136764 0.541814 Ni\n0.409281 0.590719 0.130788 Ni\n0.590719 0.409281 0.869212 Ni\n0.500000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.957187 0.042813 0.847401 O\n0.042813 0.957187 0.152599 O\n0.042813 0.957187 0.347401 O\n0.957187 0.042813 0.652599 O\n0.223875 0.776125 0.923141 O\n0.776125 0.223875 0.076859 O\n0.776125 0.223875 0.423141 O\n0.223875 0.776125 0.576859 O\n0.669555 0.330445 0.750000 O\n0.330445 0.669555 0.250000 O\n",
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{
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{
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"structure_string": "Li4 Fe4 P4 H8 O20\n1.0\n5.109765 0.000000 0.000000\n0.000000 8.228037 0.000000\n0.000000 0.000000 11.044214\nLi Fe P H O\n4 4 4 8 20\ndirect\n0.195709 0.122724 0.115822 Li\n0.695709 0.622724 0.384178 Li\n0.195709 0.377276 0.615822 Li\n0.695709 0.877276 0.884178 Li\n0.699194 0.312879 0.196549 Fe\n0.199194 0.812879 0.303451 Fe\n0.699194 0.187121 0.696549 Fe\n0.199194 0.687121 0.803451 Fe\n0.689236 0.912828 0.167388 P\n0.189236 0.412828 0.332612 P\n0.689236 0.587172 0.667388 P\n0.189236 0.087172 0.832612 P\n0.375738 0.569296 0.007312 H\n0.143081 0.686404 0.038198 H\n0.643081 0.186404 0.461802 H\n0.875738 0.069296 0.492688 H\n0.375738 0.930704 0.507312 H\n0.143081 0.813596 0.538198 H\n0.643081 0.313596 0.961802 H\n0.875738 0.430704 0.992688 H\n0.693570 0.404379 0.014590 O\n0.626032 0.824569 0.049935 O\n0.560535 0.085611 0.170298 O\n0.992951 0.935970 0.183993 O\n0.090224 0.316334 0.218539 O\n0.590224 0.816334 0.281461 O\n0.492951 0.435970 0.316007 O\n0.060535 0.585611 0.329702 O\n0.126032 0.324569 0.450065 O\n0.193570 0.904379 0.485410 O\n0.693570 0.095621 0.514590 O\n0.626032 0.675431 0.549935 O\n0.560535 0.414389 0.670298 O\n0.992951 0.564030 0.683993 O\n0.090224 0.183666 0.718539 O\n0.590224 0.683666 0.781461 O\n0.492951 0.064030 0.816007 O\n0.060535 0.914389 0.829702 O\n0.126032 0.175431 0.950065 O\n0.193570 0.595621 0.985410 O\n",
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{
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"structure_string": "Fe2 H24 C8 N36 O8\n1.0\n-0.065745 0.000000 7.472615\n7.370635 0.000000 -2.482566\n0.000000 14.876415 0.000000\nFe H C N O\n2 24 8 36 8\ndirect\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.371821 0.168809 0.183026 H\n0.628179 0.831191 0.816974 H\n0.128179 0.831191 0.683026 H\n0.871821 0.168809 0.316974 H\n0.179972 0.514863 0.402935 H\n0.820028 0.485137 0.597065 H\n0.320028 0.485137 0.902935 H\n0.679972 0.514863 0.097065 H\n0.220136 0.673837 0.474499 H\n0.779864 0.326163 0.525501 H\n0.279864 0.326163 0.974499 H\n0.720136 0.673837 0.025501 H\n0.094526 0.237731 0.707038 H\n0.905474 0.762269 0.292962 H\n0.405474 0.762269 0.207038 H\n0.594526 0.237731 0.792962 H\n0.060872 0.822375 0.215078 H\n0.939128 0.177625 0.784922 H\n0.439128 0.177625 0.715078 H\n0.560872 0.822375 0.284922 H\n0.192392 0.996846 0.333457 H\n0.807608 0.003154 0.666543 H\n0.307608 0.003154 0.833457 H\n0.692392 0.996846 0.166543 H\n0.284281 0.078343 0.463125 C\n0.715719 0.921657 0.536875 C\n0.215719 0.921657 0.963125 C\n0.784281 0.078343 0.036875 C\n0.411410 0.245312 0.327853 C\n0.588590 0.754688 0.672147 C\n0.088590 0.754688 0.827853 C\n0.911410 0.245312 0.172147 C\n0.291769 0.084619 0.003062 N\n0.708231 0.915381 0.996938 N\n0.208231 0.915381 0.503062 N\n0.791769 0.084619 0.496938 N\n0.350035 0.212837 0.523734 N\n0.649965 0.787163 0.476266 N\n0.149965 0.787163 0.023734 N\n0.850035 0.212837 0.976266 N\n0.028246 0.400515 0.135857 N\n0.971754 0.599485 0.864143 N\n0.471754 0.599485 0.635857 N\n0.528246 0.400515 0.364143 N\n0.290156 0.100757 0.370928 N\n0.709844 0.899243 0.629072 N\n0.209844 0.899243 0.870928 N\n0.790156 0.100757 0.129072 N\n0.438141 0.256524 0.237643 N\n0.561859 0.743476 0.762357 N\n0.061859 0.743476 0.737643 N\n0.938141 0.256524 0.262357 N\n0.313450 0.129439 0.604183 N\n0.686550 0.870561 0.395817 N\n0.186550 0.870561 0.104183 N\n0.813450 0.129439 0.895817 N\n0.073105 0.417695 0.280824 N\n0.926895 0.582305 0.719176 N\n0.426895 0.582305 0.780824 N\n0.573105 0.417695 0.219176 N\n0.271513 0.045066 0.091581 N\n0.728487 0.954934 0.908419 N\n0.228487 0.954934 0.591581 N\n0.771513 0.045066 0.408419 N\n0.127156 0.501561 0.205424 N\n0.872844 0.498439 0.794576 N\n0.372844 0.498439 0.705424 N\n0.627156 0.501561 0.294576 N\n0.239823 0.555853 0.461583 O\n0.760177 0.444147 0.538417 O\n0.260177 0.444147 0.961583 O\n0.739823 0.555853 0.038417 O\n0.015689 0.861403 0.271710 O\n0.984311 0.138597 0.728290 O\n0.484311 0.138597 0.771710 O\n0.515689 0.861403 0.228290 O\n",
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"structure_string": "Mo4 P8 O32\n1.0\n5.245194 0.000000 0.000000\n0.000000 10.988214 0.000000\n0.000000 0.000000 11.494662\nMo P O\n4 8 32\ndirect\n0.747895 0.093413 0.846244 Mo\n0.252105 0.593413 0.653756 Mo\n0.752105 0.906587 0.346244 Mo\n0.247895 0.406587 0.153756 Mo\n0.749127 0.594527 0.462156 P\n0.249127 0.905473 0.537844 P\n0.248683 0.137907 0.665220 P\n0.751317 0.637907 0.834780 P\n0.250873 0.094527 0.037844 P\n0.251317 0.862093 0.165220 P\n0.750873 0.405473 0.962156 P\n0.748683 0.362093 0.334780 P\n0.256148 0.205716 0.556018 O\n0.493557 0.058091 0.970069 O\n0.015300 0.058995 0.964490 O\n0.743852 0.705716 0.943982 O\n0.993557 0.441909 0.029931 O\n0.515300 0.441005 0.035510 O\n0.243852 0.794284 0.056018 O\n0.249529 0.223975 0.077981 O\n0.245998 0.010244 0.150999 O\n0.244634 0.547764 0.212129 O\n0.490661 0.841216 0.245227 O\n0.977129 0.340260 0.248054 O\n0.022871 0.840260 0.251946 O\n0.509339 0.341216 0.254773 O\n0.755366 0.047764 0.287871 O\n0.754002 0.510244 0.349001 O\n0.750471 0.723975 0.422019 O\n0.756148 0.294284 0.443982 O\n0.484700 0.941005 0.464490 O\n0.745998 0.489756 0.849001 O\n0.506443 0.558091 0.529931 O\n0.984700 0.558995 0.535510 O\n0.006443 0.941909 0.470069 O\n0.250471 0.776025 0.577981 O\n0.254002 0.989756 0.650999 O\n0.255366 0.452236 0.712129 O\n0.009339 0.158784 0.745227 O\n0.522871 0.659740 0.748054 O\n0.477129 0.159740 0.751946 O\n0.990661 0.658784 0.754773 O\n0.744634 0.952236 0.787871 O\n0.749529 0.276025 0.922019 O\n",
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"formula_full": "Mo4 P8 O32",
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}