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{
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"structure_string": "Ti6 Al2 F30\n1.0\n9.923788 0.000000 0.000000\n0.000000 6.065145 0.000000\n0.000000 2.280179 9.108047\nTi Al F\n6 2 30\ndirect\n0.500000 0.000000 0.500000 Ti\n0.555690 0.972755 0.168063 Ti\n0.444310 0.027245 0.831937 Ti\n0.000000 0.000000 0.500000 Ti\n0.944310 0.972755 0.168063 Ti\n0.055690 0.027245 0.831937 Ti\n0.750000 0.435480 0.767666 Al\n0.250000 0.564520 0.232334 Al\n0.750000 0.594414 0.597129 F\n0.750000 0.877938 0.166146 F\n0.750000 0.566516 0.903454 F\n0.250000 0.405586 0.402871 F\n0.250000 0.433484 0.096546 F\n0.250000 0.122062 0.833854 F\n0.395059 0.156620 0.626276 F\n0.422012 0.093478 0.301566 F\n0.418719 0.127127 0.011676 F\n0.604941 0.843380 0.373724 F\n0.581281 0.872873 0.988324 F\n0.577988 0.906522 0.698434 F\n0.108944 0.755726 0.547042 F\n0.100996 0.732168 0.206618 F\n0.118950 0.751219 0.864824 F\n0.891056 0.244274 0.452958 F\n0.881050 0.248781 0.135176 F\n0.899004 0.267832 0.793382 F\n0.608944 0.244274 0.452958 F\n0.618950 0.248781 0.135176 F\n0.600996 0.267832 0.793382 F\n0.391056 0.755726 0.547042 F\n0.399004 0.732168 0.206618 F\n0.381050 0.751219 0.864824 F\n0.104941 0.156620 0.626276 F\n0.077988 0.093478 0.301566 F\n0.081281 0.127127 0.011676 F\n0.895059 0.843380 0.373724 F\n0.918719 0.872873 0.988324 F\n0.922012 0.906522 0.698434 F\n",
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{
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{
"id": "mp-1193864",
"created_at": "2022-09-04T14:44:19.239484Z",
"structure_string": "Al4 P2 H6 O14\n1.0\n4.064145 6.636684 0.000000\n-4.064145 6.636684 0.000000\n0.000000 1.955083 4.776069\nAl P H O\n4 2 6 14\ndirect\n0.800980 0.199020 0.000000 Al\n0.199020 0.800980 0.000000 Al\n0.189434 0.189434 0.019094 Al\n0.810566 0.810566 0.980906 Al\n0.352455 0.352455 0.371684 P\n0.647545 0.647545 0.628316 P\n0.125987 0.125987 0.602454 H\n0.874013 0.874013 0.397546 H\n0.858444 0.364350 0.298627 H\n0.364350 0.858444 0.298627 H\n0.141556 0.635650 0.701373 H\n0.635650 0.141556 0.701373 H\n0.257776 0.257776 0.266628 O\n0.742224 0.742224 0.733372 O\n0.303855 0.303855 0.696624 O\n0.696145 0.696145 0.303376 O\n0.264769 0.578437 0.283305 O\n0.578437 0.264769 0.283305 O\n0.735231 0.421563 0.716695 O\n0.421563 0.735231 0.716695 O\n0.084772 0.084772 0.804368 O\n0.915228 0.915228 0.195632 O\n0.927876 0.287923 0.152231 O\n0.287923 0.927876 0.152231 O\n0.072124 0.712077 0.847769 O\n0.712077 0.072124 0.847769 O\n",
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{
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"structure_string": "Li3 Co2 O2 F3\n1.0\n-1.475273 1.475273 10.398006\n1.475273 -1.475273 10.398006\n1.475273 1.475273 -10.398006\nLi Co O F\n3 2 2 3\ndirect\n0.596520 0.596520 0.000000 Li\n0.403480 0.403480 0.000000 Li\n0.000000 0.000000 0.000000 Li\n0.206932 0.206932 0.000000 Co\n0.793068 0.793068 0.000000 Co\n0.694952 0.694952 0.000000 O\n0.305048 0.305048 0.000000 O\n0.095821 0.095821 0.000000 F\n0.904179 0.904179 0.000000 F\n0.500000 0.500000 0.000000 F\n",
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"formula_full": "Li3 Co2 O2 F3",
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{
"id": "mp-698362",
"created_at": "2022-09-04T14:44:19.247320Z",
"structure_string": "H88 Ir4 C12 N24 O32\n1.0\n9.705013 0.000000 0.000000\n0.000000 10.426053 0.000000\n0.000000 0.000000 13.472595\nH Ir C N O\n88 4 12 24 32\ndirect\n0.647052 0.006902 0.833350 H\n0.352948 0.993098 0.833350 H\n0.147052 0.493098 0.666650 H\n0.852948 0.506902 0.666650 H\n0.352948 0.993098 0.166650 H\n0.647052 0.006902 0.166650 H\n0.852948 0.506902 0.333350 H\n0.147052 0.493098 0.333350 H\n0.597033 0.854261 0.851006 H\n0.402967 0.145739 0.851006 H\n0.097033 0.645739 0.648994 H\n0.902967 0.354261 0.648994 H\n0.402967 0.145739 0.148994 H\n0.597033 0.854261 0.148994 H\n0.902967 0.354261 0.351006 H\n0.097033 0.645739 0.351006 H\n0.728432 0.914077 0.915441 H\n0.271568 0.085923 0.915441 H\n0.228432 0.585923 0.584559 H\n0.771568 0.414077 0.584559 H\n0.271568 0.085923 0.084559 H\n0.728432 0.914077 0.084559 H\n0.771568 0.414077 0.415441 H\n0.228432 0.585923 0.415441 H\n0.550857 0.239106 0.939391 H\n0.449143 0.760894 0.939391 H\n0.050857 0.260894 0.560609 H\n0.949143 0.739106 0.560609 H\n0.449143 0.760894 0.060609 H\n0.550857 0.239106 0.060609 H\n0.949143 0.739106 0.439391 H\n0.050857 0.260894 0.439391 H\n0.688216 0.181058 0.000000 H\n0.311784 0.818942 0.000000 H\n0.188216 0.318942 0.500000 H\n0.811784 0.681058 0.500000 H\n0.018966 0.351508 0.840194 H\n0.981034 0.648492 0.840194 H\n0.518966 0.148492 0.659806 H\n0.481034 0.851508 0.659806 H\n0.981034 0.648492 0.159806 H\n0.018966 0.351508 0.159806 H\n0.481034 0.851508 0.340194 H\n0.518966 0.148492 0.340194 H\n0.915722 0.278410 0.922081 H\n0.084278 0.721590 0.922081 H\n0.415722 0.221590 0.577919 H\n0.584278 0.778410 0.577919 H\n0.084278 0.721590 0.077919 H\n0.915722 0.278410 0.077919 H\n0.584278 0.778410 0.422081 H\n0.415722 0.221590 0.422081 H\n0.853308 0.395751 0.852775 H\n0.146692 0.604249 0.852775 H\n0.353308 0.104249 0.647225 H\n0.646692 0.895751 0.647225 H\n0.146692 0.604249 0.147225 H\n0.853308 0.395751 0.147225 H\n0.646692 0.895751 0.352775 H\n0.353308 0.104249 0.352775 H\n0.746827 0.571496 0.938777 H\n0.253173 0.428504 0.938777 H\n0.246827 0.928504 0.561223 H\n0.753173 0.071496 0.561223 H\n0.253173 0.428504 0.061223 H\n0.746827 0.571496 0.061223 H\n0.753173 0.071496 0.438777 H\n0.246827 0.928504 0.438777 H\n0.824004 0.690595 0.000000 H\n0.175996 0.309405 0.000000 H\n0.324004 0.809405 0.500000 H\n0.675996 0.190595 0.500000 H\n0.767465 0.149011 0.730074 H\n0.232535 0.850989 0.730074 H\n0.267465 0.350989 0.769926 H\n0.732535 0.649011 0.769926 H\n0.232535 0.850989 0.269926 H\n0.767465 0.149011 0.269926 H\n0.732535 0.649011 0.230074 H\n0.267465 0.350989 0.230074 H\n0.660961 0.241720 0.784499 H\n0.339039 0.758281 0.784499 H\n0.160961 0.258281 0.715501 H\n0.839039 0.741719 0.715501 H\n0.339039 0.758281 0.215501 H\n0.660961 0.241720 0.215501 H\n0.839039 0.741719 0.284499 H\n0.160961 0.258281 0.284499 H\n0.500000 0.000000 0.000000 Ir\n0.000000 0.500000 0.500000 Ir\n0.000000 0.500000 0.000000 Ir\n0.500000 0.000000 0.500000 Ir\n0.998359 0.075377 0.000000 C\n0.001641 0.924623 0.000000 C\n0.498359 0.424623 0.500000 C\n0.501641 0.575377 0.500000 C\n0.523324 0.428078 0.827169 C\n0.476676 0.571921 0.827169 C\n0.023324 0.071922 0.672831 C\n0.976676 0.928079 0.672831 C\n0.476676 0.571921 0.172831 C\n0.523324 0.428078 0.172831 C\n0.976676 0.928079 0.327169 C\n0.023324 0.071922 0.327169 C\n0.632899 0.935625 0.886071 N\n0.367101 0.064375 0.886071 N\n0.132899 0.564375 0.613929 N\n0.867101 0.435625 0.613929 N\n0.367101 0.064375 0.113929 N\n0.632899 0.935625 0.113929 N\n0.867101 0.435625 0.386071 N\n0.132899 0.564375 0.386071 N\n0.582361 0.186546 0.000000 N\n0.417639 0.813454 0.000000 N\n0.082361 0.313454 0.500000 N\n0.917639 0.686546 0.500000 N\n0.939781 0.366341 0.890479 N\n0.060219 0.633659 0.890479 N\n0.439781 0.133659 0.609521 N\n0.560219 0.866341 0.609521 N\n0.060219 0.633659 0.109521 N\n0.939781 0.366341 0.109521 N\n0.560219 0.866341 0.390479 N\n0.439781 0.133659 0.390479 N\n0.806186 0.592415 0.000000 N\n0.193814 0.407585 0.000000 N\n0.306186 0.907585 0.500000 N\n0.693814 0.092415 0.500000 N\n0.880502 0.128260 0.000000 O\n0.119498 0.871740 0.000000 O\n0.380502 0.371740 0.500000 O\n0.619498 0.628260 0.500000 O\n0.112818 0.134227 0.000000 O\n0.887182 0.865773 0.000000 O\n0.612818 0.365773 0.500000 O\n0.387182 0.634227 0.500000 O\n0.652129 0.405803 0.824727 O\n0.347871 0.594197 0.824727 O\n0.152129 0.094197 0.675273 O\n0.847871 0.905803 0.675273 O\n0.347871 0.594197 0.175273 O\n0.652129 0.405803 0.175273 O\n0.847871 0.905803 0.324727 O\n0.152129 0.094197 0.324727 O\n0.430466 0.342456 0.832405 O\n0.569534 0.657544 0.832405 O\n0.930466 0.157544 0.667595 O\n0.069534 0.842456 0.667595 O\n0.569534 0.657544 0.167595 O\n0.430466 0.342456 0.167595 O\n0.069534 0.842456 0.332405 O\n0.930466 0.157544 0.332405 O\n0.672130 0.153786 0.756920 O\n0.327870 0.846214 0.756920 O\n0.172130 0.346214 0.743080 O\n0.827870 0.653786 0.743080 O\n0.327870 0.846214 0.243080 O\n0.672130 0.153786 0.243080 O\n0.827870 0.653786 0.256920 O\n0.172130 0.346214 0.256920 O\n",
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{
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{
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{
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"structure_string": "Cs2 Li6 Cl8\n1.0\n2.389688 -15.486414 0.000000\n2.389688 15.486414 0.000000\n0.000000 0.000000 5.077633\nCs Li Cl\n2 6 8\ndirect\n0.651601 0.348399 0.750000 Cs\n0.348399 0.651601 0.250000 Cs\n0.774503 0.225497 0.750000 Li\n0.067656 0.932344 0.250000 Li\n0.530804 0.469196 0.750000 Li\n0.225497 0.774503 0.250000 Li\n0.469196 0.530804 0.250000 Li\n0.932344 0.067656 0.750000 Li\n0.851981 0.148019 0.750000 Cl\n0.751923 0.248077 0.250000 Cl\n0.546345 0.453655 0.250000 Cl\n0.453655 0.546345 0.750000 Cl\n0.054640 0.945360 0.750000 Cl\n0.148019 0.851981 0.250000 Cl\n0.248077 0.751923 0.750000 Cl\n0.945360 0.054640 0.250000 Cl\n",
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