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{
"id": "mp-1103550",
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{
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{
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"structure_string": "Rb4 Ge2 F12\n1.0\n3.039765 -5.265028 0.000000\n3.039765 5.265028 0.000000\n0.000000 0.000000 9.900478\nRb Ge F\n4 2 12\ndirect\n0.000000 0.000000 0.095606 Rb\n0.000000 0.000000 0.595606 Rb\n0.666667 0.333333 0.372284 Rb\n0.333333 0.666667 0.872284 Rb\n0.666667 0.333333 0.757015 Ge\n0.333333 0.666667 0.257015 Ge\n0.524974 0.475026 0.648139 F\n0.049948 0.524974 0.148139 F\n0.475026 0.950052 0.148139 F\n0.524974 0.049948 0.648139 F\n0.950052 0.475026 0.648139 F\n0.475026 0.524974 0.148139 F\n0.188409 0.811591 0.360226 F\n0.376817 0.188409 0.860226 F\n0.811591 0.623183 0.860226 F\n0.188409 0.376817 0.360226 F\n0.623183 0.811591 0.360226 F\n0.811591 0.188409 0.860226 F\n",
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{
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"structure_string": "Gd1 Ga1 Rh2\n1.0\n0.000000 3.257999 3.257999\n3.257999 0.000000 3.257999\n3.257999 3.257999 0.000000\nGd Ga Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Gd\n0.500000 0.500000 0.500000 Ga\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
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{
"id": "mp-1067235",
"created_at": "2022-09-04T14:41:48.383296Z",
"structure_string": "Ba2 Si2\n1.0\n-0.003939 0.041963 4.198070\n5.029014 -0.014329 0.007161\n-2.497305 6.078305 0.034511\nBa Si\n2 2\ndirect\n0.740762 0.637204 0.274436 Ba\n0.259235 0.362791 0.725552 Ba\n0.752675 0.943375 0.886975 Si\n0.247328 0.056630 0.113038 Si\n",
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{
"id": "mp-754592",
"created_at": "2022-09-04T14:41:48.194613Z",
"structure_string": "Li16 Fe4 O4 F16\n1.0\n6.802433 0.000000 0.000000\n0.000000 0.000000 -8.007036\n0.000000 6.802433 -0.000001\nLi Fe O F\n16 4 4 16\ndirect\n0.292048 0.233965 0.090738 Li\n0.792048 0.483965 0.590738 Li\n0.292048 0.733965 0.090738 Li\n0.792048 0.983965 0.590738 Li\n0.409262 0.983965 0.792048 Li\n0.909262 0.233965 0.292048 Li\n0.409262 0.483965 0.792048 Li\n0.909262 0.733965 0.292048 Li\n0.590738 0.483965 0.207952 Li\n0.090738 0.733965 0.707952 Li\n0.590738 0.983965 0.207952 Li\n0.090738 0.233965 0.707952 Li\n0.707952 0.233965 0.909262 Li\n0.207952 0.483965 0.409262 Li\n0.707952 0.733965 0.909262 Li\n0.207952 0.983965 0.409262 Li\n0.000000 0.484178 0.000000 Fe\n0.500000 0.734178 0.500000 Fe\n0.000000 0.984178 0.000000 Fe\n0.500000 0.234178 0.500000 Fe\n0.000000 0.234064 0.000000 O\n0.500000 0.484064 0.500000 O\n0.000000 0.734064 0.000000 O\n0.500000 0.984064 0.500000 O\n0.309157 0.483975 0.102887 F\n0.809157 0.733975 0.602887 F\n0.309157 0.983975 0.102887 F\n0.809157 0.233975 0.602887 F\n0.397113 0.233975 0.809157 F\n0.897113 0.483975 0.309157 F\n0.397113 0.733975 0.809157 F\n0.897113 0.983975 0.309157 F\n0.602887 0.233975 0.190843 F\n0.102887 0.483975 0.690843 F\n0.602887 0.733975 0.190843 F\n0.102887 0.983975 0.690843 F\n0.690843 0.983975 0.897113 F\n0.190843 0.233975 0.397113 F\n0.690843 0.483975 0.897113 F\n0.190843 0.733975 0.397113 F\n",
"nsites": 40,
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"elements": [
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"volume": 370.51033525035825,
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{
"id": "mp-773576",
"created_at": "2022-09-04T14:41:48.196366Z",
"structure_string": "Li1 Zn2 Fe9 O16\n1.0\n3.021700 5.244118 0.000000\n-3.021700 5.244118 0.000000\n0.000000 3.552854 9.854541\nLi Zn Fe O\n1 2 9 16\ndirect\n0.124369 0.124369 0.624304 Li\n0.064071 0.064071 0.314081 Zn\n0.311590 0.311590 0.062743 Zn\n0.000475 0.000475 0.996194 Fe\n0.628269 0.628269 0.129330 Fe\n0.496639 0.496639 0.498839 Fe\n0.556371 0.066516 0.313362 Fe\n0.066516 0.556371 0.313362 Fe\n0.564751 0.564751 0.810625 Fe\n0.808873 0.808873 0.569225 Fe\n0.058714 0.564969 0.809469 Fe\n0.564969 0.058714 0.809469 Fe\n0.441082 0.949503 0.191277 O\n0.949503 0.441082 0.191277 O\n0.431652 0.431652 0.194802 O\n0.200109 0.200109 0.416822 O\n0.932230 0.932230 0.194745 O\n0.696820 0.696820 0.435132 O\n0.688021 0.167170 0.438522 O\n0.167170 0.688021 0.438522 O\n0.917027 0.465500 0.696880 O\n0.465500 0.917027 0.696880 O\n0.918081 0.918081 0.693682 O\n0.692091 0.692091 0.930029 O\n0.432314 0.432314 0.697758 O\n0.197552 0.197552 0.928904 O\n0.676365 0.198879 0.926884 O\n0.198879 0.676365 0.926884 O\n",
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{
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"structure_string": "Yb2 Ti4 Al40\n1.0\n0.000000 7.346600 7.346600\n7.346600 0.000000 7.346600\n7.346600 7.346600 0.000000\nYb Ti Al\n2 4 40\ndirect\n0.500000 0.500000 0.500000 Yb\n0.750000 0.750000 0.750000 Yb\n0.625000 0.125000 0.125000 Ti\n0.125000 0.625000 0.125000 Ti\n0.125000 0.125000 0.625000 Ti\n0.125000 0.125000 0.125000 Ti\n0.861421 0.861421 0.138579 Al\n0.138579 0.138579 0.861421 Al\n0.861421 0.138579 0.861421 Al\n0.138579 0.861421 0.138579 Al\n0.138579 0.861421 0.861421 Al\n0.861421 0.138579 0.138579 Al\n0.388579 0.388579 0.111421 Al\n0.111421 0.111421 0.388579 Al\n0.388579 0.111421 0.388579 Al\n0.111421 0.388579 0.111421 Al\n0.111421 0.388579 0.388579 Al\n0.388579 0.111421 0.111421 Al\n0.567647 0.300690 0.300690 Al\n0.300690 0.567647 0.830973 Al\n0.300690 0.830973 0.567647 Al\n0.830973 0.300690 0.300690 Al\n0.300690 0.300690 0.567647 Al\n0.567647 0.830973 0.300690 Al\n0.830973 0.567647 0.300690 Al\n0.300690 0.300690 0.830973 Al\n0.300690 0.567647 0.300690 Al\n0.830973 0.300690 0.567647 Al\n0.567647 0.300690 0.830973 Al\n0.300690 0.830973 0.300690 Al\n0.682353 0.949310 0.949310 Al\n0.949310 0.682353 0.419027 Al\n0.949310 0.419027 0.682353 Al\n0.419027 0.949310 0.949310 Al\n0.949310 0.949310 0.682353 Al\n0.682353 0.419027 0.949310 Al\n0.419027 0.682353 0.949310 Al\n0.949310 0.949310 0.419027 Al\n0.949310 0.682353 0.949310 Al\n0.419027 0.949310 0.682353 Al\n0.682353 0.949310 0.419027 Al\n0.949310 0.419027 0.949310 Al\n0.125000 0.625000 0.625000 Al\n0.625000 0.125000 0.625000 Al\n0.625000 0.625000 0.125000 Al\n0.625000 0.625000 0.625000 Al\n",
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{
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{
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"structure_string": "Ca1 Mg1 Hg2\n1.0\n0.000000 3.651306 3.651306\n3.651306 0.000000 3.651306\n3.651306 3.651306 0.000000\nCa Mg Hg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
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{
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}