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{
"id": "mp-1236378",
"created_at": "2022-09-04T14:45:20.900559Z",
"structure_string": "Li1 Ni9 O13\n1.0\n2.988048 -0.284760 0.063827\n-2.008246 5.427170 -0.157100\n0.216925 1.749761 14.331774\nLi Ni O\n1 9 13\ndirect\n0.455099 0.486040 0.499035 Li\n0.489983 0.999941 0.498912 Ni\n0.610909 0.272960 0.047094 Ni\n0.341760 0.761679 0.954448 Ni\n0.959528 0.402861 0.326042 Ni\n0.024126 0.603781 0.671170 Ni\n0.847029 0.760872 0.132192 Ni\n0.149801 0.260246 0.866314 Ni\n0.893901 0.875098 0.336796 Ni\n0.090124 0.130746 0.661953 Ni\n0.005741 0.997112 0.000804 O\n0.649321 0.595947 0.260735 O\n0.336122 0.411309 0.735433 O\n0.223340 0.550639 0.078504 O\n0.788355 0.456281 0.918519 O\n0.533280 0.017260 0.163898 O\n0.450918 0.004889 0.834691 O\n0.561699 0.064899 0.259697 O\n0.412271 0.946545 0.739893 O\n0.238247 0.702632 0.413887 O\n0.762813 0.301358 0.583611 O\n0.163000 0.171760 0.410718 O\n0.825133 0.837645 0.588985 O\n",
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{
"id": "mp-1228970",
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"structure_string": "Al32 Zn12 Co4 O64\n1.0\n0.000000 -8.179403 0.000000\n4.089701 -4.089701 -16.358531\n8.179403 0.000000 0.000000\nAl Zn Co O\n32 12 4 64\ndirect\n0.687547 0.125045 0.937547 Al\n0.187547 0.125045 0.437547 Al\n0.937547 0.625045 0.187547 Al\n0.437547 0.625045 0.687547 Al\n0.437409 0.125045 0.687409 Al\n0.937409 0.125045 0.187409 Al\n0.687409 0.625045 0.937409 Al\n0.187409 0.625045 0.437409 Al\n0.000091 0.499955 0.999953 Al\n0.500091 0.499955 0.499953 Al\n0.250091 0.999955 0.249953 Al\n0.750091 0.999955 0.749953 Al\n0.249953 0.499955 0.750091 Al\n0.749953 0.499955 0.250091 Al\n0.499953 0.999955 0.000091 Al\n0.999953 0.999955 0.500091 Al\n0.062536 0.375017 0.812536 Al\n0.562536 0.375017 0.312536 Al\n0.312536 0.875017 0.062536 Al\n0.812536 0.875017 0.562536 Al\n0.312447 0.375017 0.062447 Al\n0.812447 0.375017 0.562447 Al\n0.562447 0.875017 0.312447 Al\n0.062447 0.875017 0.812447 Al\n0.125053 0.249983 0.624964 Al\n0.625053 0.249983 0.124964 Al\n0.375053 0.749983 0.874964 Al\n0.875053 0.749983 0.374964 Al\n0.374964 0.249983 0.375053 Al\n0.874964 0.249983 0.875053 Al\n0.624964 0.749983 0.625053 Al\n0.124964 0.749983 0.125053 Al\n0.468750 0.312500 0.718750 Zn\n0.968750 0.312500 0.218750 Zn\n0.718750 0.812500 0.968750 Zn\n0.218750 0.812500 0.468750 Zn\n0.156268 0.437464 0.406268 Zn\n0.656268 0.437464 0.906268 Zn\n0.406268 0.937464 0.656268 Zn\n0.906268 0.937464 0.156268 Zn\n0.281232 0.187536 0.031232 Zn\n0.781232 0.187536 0.531232 Zn\n0.531232 0.687536 0.281232 Zn\n0.031232 0.687536 0.781232 Zn\n0.593750 0.062500 0.343750 Co\n0.843750 0.562500 0.593750 Co\n0.093750 0.062500 0.843750 Co\n0.343750 0.562500 0.093750 Co\n0.364194 0.242831 0.614194 O\n0.864194 0.242831 0.114194 O\n0.614194 0.742831 0.864194 O\n0.114194 0.742831 0.364194 O\n0.642975 0.242831 0.892975 O\n0.142975 0.242831 0.392975 O\n0.892975 0.742831 0.142975 O\n0.392975 0.742831 0.642975 O\n0.294525 0.382169 0.823306 O\n0.794525 0.382169 0.323306 O\n0.544525 0.882169 0.073306 O\n0.044525 0.882169 0.573306 O\n0.073306 0.382169 0.044525 O\n0.573306 0.382169 0.544525 O\n0.323306 0.882169 0.294525 O\n0.823306 0.882169 0.794525 O\n0.239159 0.492719 0.989159 O\n0.739159 0.492719 0.489159 O\n0.489159 0.992719 0.239159 O\n0.989159 0.992719 0.739159 O\n0.018122 0.492719 0.768122 O\n0.518122 0.492719 0.268122 O\n0.268122 0.992719 0.018122 O\n0.768122 0.992719 0.518122 O\n0.419378 0.132281 0.448341 O\n0.919378 0.132281 0.948341 O\n0.669378 0.632281 0.698341 O\n0.169378 0.632281 0.198341 O\n0.198341 0.132281 0.669378 O\n0.698341 0.132281 0.169378 O\n0.448341 0.632281 0.919378 O\n0.948341 0.632281 0.419378 O\n0.385829 0.257207 0.135829 O\n0.885829 0.257207 0.635829 O\n0.635829 0.757207 0.385829 O\n0.135829 0.757207 0.885829 O\n0.106964 0.257207 0.856964 O\n0.606964 0.257207 0.356964 O\n0.356964 0.757207 0.106964 O\n0.856964 0.757207 0.606964 O\n0.830536 0.367793 0.801671 O\n0.330536 0.367793 0.301671 O\n0.080536 0.867793 0.051671 O\n0.580536 0.867793 0.551671 O\n0.051671 0.367793 0.580536 O\n0.551671 0.367793 0.080536 O\n0.301671 0.867793 0.830536 O\n0.801671 0.867793 0.330536 O\n0.510799 0.007223 0.760799 O\n0.010799 0.007223 0.260799 O\n0.760799 0.507223 0.010799 O\n0.260799 0.507223 0.510799 O\n0.731979 0.007223 0.981979 O\n0.231979 0.007223 0.481979 O\n0.981979 0.507223 0.231979 O\n0.481979 0.507223 0.731979 O\n0.455521 0.117777 0.926701 O\n0.955521 0.117777 0.426701 O\n0.705521 0.617777 0.176701 O\n0.205521 0.617777 0.676701 O\n0.676701 0.117777 0.705521 O\n0.176701 0.117777 0.205521 O\n0.926701 0.617777 0.955521 O\n0.426701 0.617777 0.455521 O\n",
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"elements": [
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"Co",
"O"
],
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"formula_full": "Al32 Zn12 Co4 O64",
"formula_reduced": "Al8Zn3CoO16",
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"energy": -814.12432418,
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"updated_at": "2021-11-28T01:37:32.145000Z",
"spacegroup": 115
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{
"id": "mp-1207902",
"created_at": "2022-09-04T14:41:47.117343Z",
"structure_string": "V2 Ni21 B6\n1.0\n0.000000 5.213273 5.213273\n5.213273 0.000000 5.213273\n5.213273 5.213273 0.000000\nV Ni B\n2 21 6\ndirect\n0.250000 0.250000 0.250000 V\n0.750000 0.750000 0.750000 V\n0.340443 0.000000 0.000000 Ni\n0.659557 0.000000 0.000000 Ni\n0.000000 0.340443 0.659557 Ni\n0.000000 0.659557 0.340443 Ni\n0.000000 0.340443 0.000000 Ni\n0.659557 0.000000 0.340443 Ni\n0.000000 0.659557 0.000000 Ni\n0.340443 0.000000 0.659557 Ni\n0.000000 0.000000 0.340443 Ni\n0.000000 0.000000 0.659557 Ni\n0.659557 0.340443 0.000000 Ni\n0.340443 0.659557 0.000000 Ni\n0.381642 0.381642 0.381642 Ni\n0.618358 0.618358 0.618358 Ni\n0.381642 0.381642 0.855075 Ni\n0.381642 0.855075 0.381642 Ni\n0.618358 0.618358 0.144925 Ni\n0.618358 0.144925 0.618358 Ni\n0.855075 0.381642 0.381642 Ni\n0.144925 0.618358 0.618358 Ni\n0.000000 0.000000 0.000000 Ni\n0.731553 0.268447 0.268447 B\n0.268447 0.731553 0.731553 B\n0.268447 0.731553 0.268447 B\n0.731553 0.268447 0.731553 B\n0.268447 0.268447 0.731553 B\n0.731553 0.731553 0.268447 B\n",
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],
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"spacegroup": 225
},
{
"id": "mp-1245673",
"created_at": "2022-09-04T14:43:56.207654Z",
"structure_string": "Mn6 Fe4 N8\n1.0\n6.163342 0.849238 -0.128855\n-3.857323 4.929193 0.000000\n-0.197563 -0.154602 5.231982\nMn Fe N\n6 4 8\ndirect\n0.360575 0.086121 0.944001 Mn\n0.639425 0.725546 0.555999 Mn\n0.639425 0.913879 0.055999 Mn\n0.360575 0.274454 0.444001 Mn\n0.000000 0.673049 0.750000 Mn\n0.000000 0.326951 0.250000 Mn\n0.685829 0.186129 0.626342 Fe\n0.314171 0.500300 0.873658 Fe\n0.314171 0.813871 0.373658 Fe\n0.685829 0.499700 0.126342 Fe\n0.230526 0.975878 0.606105 N\n0.769474 0.745352 0.893895 N\n0.769474 0.024122 0.393895 N\n0.230526 0.254648 0.106105 N\n0.721458 0.247477 0.977237 N\n0.278542 0.526019 0.522763 N\n0.278542 0.752523 0.022763 N\n0.721458 0.473981 0.477237 N\n",
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"formula_full": "Mn6 Fe4 N8",
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{
"id": "mp-758437",
"created_at": "2022-09-04T14:45:30.856381Z",
"structure_string": "Li4 Cr6 O12\n1.0\n5.362559 0.138300 -0.000037\n2.270139 4.860492 0.000049\n1.546149 -2.360985 8.348082\nLi Cr O\n4 6 12\ndirect\n0.169737 0.830254 0.660569 Li\n0.830313 0.169694 0.339344 Li\n0.580267 0.919740 0.839431 Li\n0.919697 0.580305 0.160654 Li\n0.000010 0.999911 0.999893 Cr\n0.085183 0.414803 0.829604 Cr\n0.414777 0.085207 0.170413 Cr\n0.335219 0.664800 0.329597 Cr\n0.664807 0.335204 0.670382 Cr\n0.749980 0.750105 0.500117 Cr\n0.217949 0.217923 0.999933 O\n0.099509 0.457666 0.332196 O\n0.181684 0.875403 0.167818 O\n0.457555 0.099618 0.667916 O\n0.292445 0.650383 0.832082 O\n0.650487 0.292336 0.167807 O\n0.532054 0.532064 0.500068 O\n0.568322 0.874593 0.332180 O\n0.782028 0.781902 0.999932 O\n0.875410 0.181670 0.832064 O\n0.874593 0.568330 0.667933 O\n0.967974 0.968090 0.500065 O\n",
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{
"id": "mp-1232981",
"created_at": "2022-09-04T14:40:52.291900Z",
"structure_string": "Li1 V4 Ge4 O16\n1.0\n4.437474 0.029973 -0.301265\n0.032741 4.764990 -0.002207\n0.781026 0.000040 11.500488\nLi V Ge O\n1 4 4 16\ndirect\n0.000000 0.250032 0.700020 Li\n0.000002 0.750030 0.561772 V\n0.500005 0.749998 0.071877 V\n0.500001 0.250005 0.931380 V\n0.999993 0.249943 0.430921 V\n0.000017 0.750019 0.823329 Ge\n0.500013 0.250027 0.673949 Ge\n0.499988 0.749950 0.321664 Ge\n0.999995 0.249986 0.178352 Ge\n0.223594 0.079580 0.305911 O\n0.254411 0.576784 0.434683 O\n0.248392 0.077986 0.060424 O\n0.249591 0.093425 0.564748 O\n0.275177 0.581158 0.191455 O\n0.268132 0.082585 0.807743 O\n0.228027 0.577157 0.695149 O\n0.251662 0.576563 0.937711 O\n0.751604 0.422001 0.060423 O\n0.776400 0.420380 0.305913 O\n0.724822 0.918814 0.191456 O\n0.731864 0.417437 0.807743 O\n0.745541 0.923207 0.434670 O\n0.748334 0.923450 0.937709 O\n0.750432 0.406606 0.564743 O\n0.772002 0.922880 0.695145 O\n",
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{
"id": "mp-1031776",
"created_at": "2022-09-04T14:41:52.023559Z",
"structure_string": "Mg6 V1 Ni1 O8\n1.0\n8.518049 0.000000 0.000000\n0.000000 4.284150 0.000000\n0.000000 0.000000 4.284150\nMg V Ni O\n6 1 1 8\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.247648 0.000000 0.500000 Mg\n0.752352 0.000000 0.500000 Mg\n0.247648 0.500000 0.000000 Mg\n0.752352 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 V\n0.000000 0.000000 0.000000 Ni\n0.244412 0.000000 0.000000 O\n0.755588 0.000000 0.000000 O\n0.249781 0.500000 0.500000 O\n0.750219 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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{
"id": "mp-1246617",
"created_at": "2022-09-04T14:48:09.024982Z",
"structure_string": "Mn6 Fe6 N10\n1.0\n5.460528 -0.124843 0.142359\n-0.804623 5.879413 -0.359545\n-1.689896 -2.714757 6.831806\nMn Fe N\n6 6 10\ndirect\n0.826271 0.413108 0.599702 Mn\n0.173729 0.586892 0.400298 Mn\n0.582855 0.876757 0.855715 Mn\n0.417145 0.123243 0.144285 Mn\n0.711766 0.553123 0.210592 Mn\n0.288234 0.446877 0.789408 Mn\n0.030768 0.272248 0.018440 Fe\n0.969232 0.727752 0.981560 Fe\n0.717016 0.945055 0.541762 Fe\n0.282984 0.054946 0.458238 Fe\n0.127458 0.918099 0.726632 Fe\n0.872542 0.081901 0.273368 Fe\n0.993853 0.196562 0.755198 N\n0.006147 0.803438 0.244802 N\n0.853059 0.661535 0.500207 N\n0.146941 0.338465 0.499793 N\n0.651134 0.558243 0.798948 N\n0.348866 0.441757 0.201052 N\n0.411857 0.877376 0.609350 N\n0.588143 0.122624 0.390650 N\n0.271912 0.796106 0.921163 N\n0.728088 0.203894 0.078837 N\n",
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