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{
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{
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{
"id": "mp-755767",
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"structure_string": "Li8 Co10 Ni2 O24\n1.0\n2.462009 4.276651 0.002171\n-2.432673 4.251652 9.987019\n7.331179 -4.220527 0.000107\nLi Co Ni O\n8 10 2 24\ndirect\n0.033984 0.751752 0.127731 Li\n0.538120 0.751302 0.627248 Li\n0.466021 0.248249 0.875984 Li\n0.961872 0.248701 0.375954 Li\n0.538128 0.751301 0.124044 Li\n0.033978 0.751753 0.624010 Li\n0.961877 0.248699 0.872749 Li\n0.466018 0.248245 0.372263 Li\n0.749999 0.500000 0.750002 Co\n0.499766 0.000140 0.164286 Co\n0.000227 0.999862 0.664142 Co\n0.499773 0.000137 0.835857 Co\n0.000235 0.999858 0.335714 Co\n0.250000 0.500001 0.250000 Co\n0.250003 0.499998 0.913634 Co\n0.749997 0.500001 0.417052 Co\n0.750003 0.500000 0.082950 Co\n0.249996 0.500002 0.586370 Co\n0.999874 0.000242 0.000121 Ni\n0.500128 0.999756 0.499878 Ni\n0.874953 0.595382 0.297688 O\n0.370464 0.596638 0.798325 O\n0.129534 0.403362 0.701678 O\n0.625048 0.404619 0.202313 O\n0.280161 0.098746 0.049366 O\n0.780622 0.098174 0.549078 O\n0.719377 0.901826 0.950922 O\n0.219838 0.901253 0.450634 O\n0.284671 0.101066 0.717791 O\n0.784649 0.101354 0.218377 O\n0.215339 0.898923 0.116718 O\n0.715354 0.898640 0.617020 O\n0.784647 0.101360 0.882980 O\n0.284661 0.101076 0.383282 O\n0.715354 0.898646 0.281622 O\n0.215329 0.898934 0.782208 O\n0.134609 0.394240 0.015949 O\n0.631736 0.397671 0.531319 O\n0.631747 0.397674 0.866357 O\n0.134626 0.394249 0.378275 O\n0.365376 0.605753 0.121727 O\n0.868251 0.602326 0.633646 O\n0.868264 0.602330 0.968683 O\n0.365390 0.605759 0.484052 O\n",
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"formula_full": "Li8 Co10 Ni2 O24",
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{
"id": "mp-1195689",
"created_at": "2022-09-04T14:40:41.556839Z",
"structure_string": "Y10 Ge20 Os8\n1.0\n13.204189 0.000000 0.000000\n0.000000 13.204189 0.000000\n0.000000 0.000000 4.288046\nY Ge Os\n10 20 8\ndirect\n0.500000 0.500000 0.000000 Y\n0.000000 0.000000 0.000000 Y\n0.672036 0.172036 0.500000 Y\n0.327964 0.827964 0.500000 Y\n0.172036 0.327964 0.500000 Y\n0.827964 0.672036 0.500000 Y\n0.883301 0.383301 0.500000 Y\n0.116699 0.616699 0.500000 Y\n0.383301 0.116699 0.500000 Y\n0.616699 0.883301 0.500000 Y\n0.567487 0.067487 0.000000 Ge\n0.432513 0.932513 0.000000 Ge\n0.067487 0.432513 0.000000 Ge\n0.932513 0.567487 0.000000 Ge\n0.663502 0.697723 0.000000 Ge\n0.336498 0.302277 0.000000 Ge\n0.163502 0.802277 0.000000 Ge\n0.836498 0.197723 0.000000 Ge\n0.302277 0.663502 0.000000 Ge\n0.697723 0.336498 0.000000 Ge\n0.197723 0.163502 0.000000 Ge\n0.802277 0.836498 0.000000 Ge\n0.658317 0.507997 0.500000 Ge\n0.341683 0.492003 0.500000 Ge\n0.158317 0.992003 0.500000 Ge\n0.841683 0.007997 0.500000 Ge\n0.492003 0.658317 0.500000 Ge\n0.507997 0.341683 0.500000 Ge\n0.007997 0.158317 0.500000 Ge\n0.992003 0.841683 0.500000 Ge\n0.747351 0.518341 0.000000 Os\n0.252649 0.481659 0.000000 Os\n0.247351 0.981659 0.000000 Os\n0.752649 0.018341 0.000000 Os\n0.481659 0.747351 0.000000 Os\n0.518341 0.252649 0.000000 Os\n0.018341 0.247351 0.000000 Os\n0.981659 0.752649 0.000000 Os\n",
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"formula_full": "Y10 Ge20 Os8",
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{
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"structure_string": "Ho10 Sb2 Pd4\n1.0\n-3.864213 3.864213 6.811971\n3.864213 -3.864213 6.811971\n3.864213 3.864213 -6.811971\nHo Sb Pd\n10 2 4\ndirect\n0.000000 0.000000 0.000000 Ho\n0.500000 0.500000 0.000000 Ho\n0.799161 0.299161 0.813468 Ho\n0.200839 0.700839 0.186532 Ho\n0.485693 0.985693 0.186532 Ho\n0.299161 0.485693 0.500000 Ho\n0.014307 0.200839 0.500000 Ho\n0.514307 0.014307 0.813468 Ho\n0.700839 0.514307 0.500000 Ho\n0.985693 0.799161 0.500000 Ho\n0.250000 0.250000 0.000000 Sb\n0.750000 0.750000 0.000000 Sb\n0.137338 0.637338 0.774676 Pd\n0.862662 0.362662 0.225324 Pd\n0.637338 0.862662 0.500000 Pd\n0.362662 0.137338 0.500000 Pd\n",
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{
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{
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"structure_string": "Ba1 Si1 Tc2\n1.0\n0.000000 3.392547 3.392547\n3.392547 0.000000 3.392547\n3.392547 3.392547 0.000000\nBa Si Tc\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.250000 0.250000 0.250000 Si\n0.000000 0.000000 0.000000 Tc\n0.750000 0.750000 0.750000 Tc\n",
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{
"id": "mp-31481",
"created_at": "2022-09-04T14:40:41.597697Z",
"structure_string": "Ca12 Ga12 Ir8\n1.0\n5.841205 0.000000 0.000000\n0.000000 8.117459 0.000000\n0.000000 0.000000 14.986511\nCa Ga Ir\n12 12 8\ndirect\n0.888113 0.452020 0.107781 Ca\n0.388113 0.047980 0.892219 Ca\n0.611887 0.952020 0.392219 Ca\n0.111887 0.547980 0.607781 Ca\n0.111887 0.547980 0.892219 Ca\n0.611887 0.952020 0.107781 Ca\n0.388113 0.047980 0.607781 Ca\n0.888113 0.452020 0.392219 Ca\n0.378307 0.300310 0.250000 Ca\n0.878307 0.199690 0.750000 Ca\n0.121693 0.800310 0.250000 Ca\n0.621693 0.699690 0.750000 Ca\n0.919991 0.144007 0.250000 Ga\n0.419991 0.355993 0.750000 Ga\n0.580009 0.644007 0.250000 Ga\n0.080009 0.855993 0.750000 Ga\n0.376053 0.321836 0.039307 Ga\n0.876053 0.178164 0.960693 Ga\n0.123947 0.821836 0.460693 Ga\n0.623947 0.678164 0.539307 Ga\n0.623947 0.678164 0.960693 Ga\n0.123947 0.821836 0.039307 Ga\n0.876053 0.178164 0.539307 Ga\n0.376053 0.321836 0.460693 Ga\n0.106268 0.110264 0.099369 Ir\n0.606268 0.389736 0.900631 Ir\n0.393732 0.610264 0.400631 Ir\n0.893732 0.889736 0.599369 Ir\n0.893732 0.889736 0.900631 Ir\n0.393732 0.610264 0.099369 Ir\n0.606268 0.389736 0.599369 Ir\n0.106268 0.110264 0.400631 Ir\n",
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{
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{
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"formula_full": "Na1 Sr1 Nd1 W1 O6",
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{
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{
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"structure_string": "Ce2 H16 S4 O24\n1.0\n5.847789 0.000000 0.000000\n2.923895 6.094502 0.000000\n2.923895 0.000000 13.534016\nCe H S O\n2 16 4 24\ndirect\n0.000000 0.000000 0.000000 Ce\n0.750000 0.500000 0.500000 Ce\n0.736887 0.744919 0.139298 H\n0.621103 0.255081 0.860702 H\n0.518195 0.744919 0.860702 H\n0.123815 0.255081 0.139298 H\n0.013113 0.755081 0.360702 H\n0.128897 0.244919 0.639298 H\n0.231805 0.755081 0.639298 H\n0.626185 0.244919 0.360702 H\n0.669418 0.952871 0.203666 H\n0.825955 0.047129 0.796334 H\n0.377711 0.952871 0.796334 H\n0.126917 0.047129 0.203666 H\n0.080582 0.547129 0.296334 H\n0.924045 0.452871 0.703666 H\n0.372289 0.547129 0.703666 H\n0.623083 0.452871 0.296334 H\n0.057687 0.500000 0.884626 S\n0.442313 0.500000 0.115374 S\n0.692313 0.000000 0.615374 S\n0.307687 0.000000 0.384626 S\n0.084521 0.305265 0.950662 O\n0.340448 0.694735 0.049338 O\n0.610214 0.305265 0.049338 O\n0.964817 0.694735 0.950662 O\n0.665479 0.194735 0.549338 O\n0.409552 0.805265 0.450662 O\n0.139786 0.194735 0.450662 O\n0.785183 0.805265 0.549338 O\n0.314528 0.456567 0.823773 O\n0.594868 0.543433 0.176227 O\n0.228905 0.456567 0.176227 O\n0.861699 0.543433 0.823773 O\n0.435472 0.043433 0.676227 O\n0.155132 0.956567 0.323773 O\n0.521095 0.043433 0.323773 O\n0.888301 0.956567 0.676227 O\n0.766108 0.878374 0.139174 O\n0.783657 0.121626 0.860826 O\n0.355518 0.878374 0.860826 O\n0.094718 0.121626 0.139174 O\n0.983892 0.621626 0.360826 O\n0.966343 0.378374 0.639174 O\n0.394482 0.621626 0.639174 O\n0.655282 0.378374 0.360826 O\n",
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}