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{
"id": "mp-1074730",
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"structure_string": "Mg8 Si4\n1.0\n7.263399 0.000000 0.000000\n0.000000 4.954729 0.000000\n0.000000 0.207773 6.785629\nMg Si\n8 4\ndirect\n0.599687 0.179786 0.692587 Mg\n0.286256 0.341890 0.001238 Mg\n0.400313 0.820214 0.307413 Mg\n0.786256 0.658110 0.498762 Mg\n0.713744 0.658110 0.998762 Mg\n0.099687 0.820214 0.807413 Mg\n0.213744 0.341890 0.501238 Mg\n0.900313 0.179786 0.192587 Mg\n0.947870 0.301169 0.779502 Si\n0.552130 0.301169 0.279502 Si\n0.052130 0.698831 0.220498 Si\n0.447870 0.698831 0.720498 Si\n",
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{
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"structure_string": "Li6 Rh2 N12 O32\n1.0\n11.914836 0.000000 0.000000\n0.000000 7.063618 0.000000\n0.000000 0.017042 9.826677\nLi Rh N O\n6 2 12 32\ndirect\n0.693597 0.573527 0.995152 Li\n0.306403 0.426473 0.004848 Li\n0.806403 0.573527 0.495152 Li\n0.193597 0.426473 0.504848 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Rh\n0.500000 0.000000 0.500000 Rh\n0.146514 0.162237 0.999901 N\n0.853486 0.837763 0.000099 N\n0.353486 0.162237 0.499901 N\n0.646514 0.837763 0.500099 N\n0.925185 0.164103 0.155702 N\n0.074964 0.835640 0.156603 N\n0.574964 0.164360 0.343397 N\n0.425185 0.835897 0.344298 N\n0.074815 0.835897 0.844298 N\n0.925036 0.164360 0.843397 N\n0.425036 0.835640 0.656603 N\n0.574815 0.164103 0.655702 N\n0.882613 0.074749 0.250130 O\n0.118336 0.924188 0.249909 O\n0.618336 0.075812 0.250091 O\n0.382613 0.925251 0.249870 O\n0.117387 0.925251 0.749870 O\n0.881664 0.075812 0.750091 O\n0.381664 0.924188 0.749909 O\n0.617387 0.074749 0.750130 O\n0.661035 0.298526 0.999794 O\n0.338965 0.701474 0.000206 O\n0.838965 0.298526 0.499794 O\n0.161035 0.701474 0.500206 O\n0.927381 0.339415 0.149704 O\n0.071800 0.659678 0.150350 O\n0.571800 0.340322 0.349650 O\n0.427381 0.660585 0.350296 O\n0.072619 0.660585 0.850296 O\n0.928200 0.340322 0.849650 O\n0.428200 0.659678 0.650350 O\n0.572619 0.339415 0.649704 O\n0.144023 0.341446 0.999239 O\n0.855977 0.658554 0.000761 O\n0.355977 0.341446 0.499239 O\n0.644023 0.658554 0.500761 O\n0.237756 0.080349 0.000864 O\n0.762244 0.919651 0.999136 O\n0.262244 0.080349 0.500864 O\n0.737756 0.919651 0.499136 O\n0.635185 0.642129 0.173160 O\n0.135185 0.357871 0.326840 O\n0.364815 0.357871 0.826840 O\n0.864815 0.642129 0.673160 O\n",
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"formula_full": "Li6 Rh2 N12 O32",
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"spacegroup": 14
},
{
"id": "mp-1214222",
"created_at": "2022-09-04T14:44:07.872703Z",
"structure_string": "Ca12 Al8 Ge12 O48\n1.0\n-6.124576 6.124576 6.124576\n6.124576 -6.124576 6.124576\n6.124576 6.124576 -6.124576\nCa Al Ge O\n12 8 12 48\ndirect\n0.250000 0.375000 0.125000 Ca\n0.750000 0.625000 0.875000 Ca\n0.750000 0.125000 0.375000 Ca\n0.125000 0.250000 0.375000 Ca\n0.375000 0.750000 0.125000 Ca\n0.250000 0.875000 0.625000 Ca\n0.875000 0.750000 0.625000 Ca\n0.625000 0.250000 0.875000 Ca\n0.375000 0.125000 0.250000 Ca\n0.625000 0.875000 0.750000 Ca\n0.125000 0.375000 0.750000 Ca\n0.875000 0.625000 0.250000 Ca\n0.000000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.500000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.250000 0.625000 0.375000 Ge\n0.750000 0.375000 0.625000 Ge\n0.750000 0.875000 0.125000 Ge\n0.375000 0.250000 0.625000 Ge\n0.625000 0.750000 0.375000 Ge\n0.250000 0.125000 0.875000 Ge\n0.125000 0.750000 0.875000 Ge\n0.875000 0.250000 0.125000 Ge\n0.625000 0.375000 0.250000 Ge\n0.375000 0.625000 0.750000 Ge\n0.875000 0.125000 0.750000 Ge\n0.125000 0.875000 0.250000 Ge\n0.485204 0.384575 0.305141 O\n0.514796 0.615425 0.694859 O\n0.579434 0.180063 0.194859 O\n0.920566 0.115425 0.600629 O\n0.305141 0.485204 0.384575 O\n0.319937 0.920566 0.305141 O\n0.420566 0.819937 0.805141 O\n0.079434 0.884575 0.399371 O\n0.694859 0.514796 0.615425 O\n0.680063 0.079434 0.694859 O\n0.014796 0.319937 0.899371 O\n0.194859 0.579434 0.180063 O\n0.115425 0.014796 0.194859 O\n0.985204 0.680063 0.100629 O\n0.805141 0.420566 0.819937 O\n0.884575 0.985204 0.805141 O\n0.600629 0.920566 0.115425 O\n0.180063 0.485204 0.600629 O\n0.399371 0.079434 0.884575 O\n0.819937 0.514796 0.399371 O\n0.899371 0.014796 0.319937 O\n0.384575 0.579434 0.899371 O\n0.100629 0.985204 0.680063 O\n0.615425 0.420566 0.100629 O\n0.384575 0.305141 0.485204 O\n0.579434 0.899371 0.384575 O\n0.615425 0.694859 0.514796 O\n0.420566 0.100629 0.615425 O\n0.115425 0.600629 0.920566 O\n0.014796 0.194859 0.115425 O\n0.884575 0.399371 0.079434 O\n0.985204 0.805141 0.884575 O\n0.319937 0.899371 0.014796 O\n0.920566 0.305141 0.319937 O\n0.680063 0.100629 0.985204 O\n0.079434 0.694859 0.680063 O\n0.180063 0.194859 0.579434 O\n0.485204 0.600629 0.180063 O\n0.819937 0.805141 0.420566 O\n0.514796 0.399371 0.819937 O\n0.305141 0.319937 0.920566 O\n0.694859 0.680063 0.079434 O\n0.194859 0.115425 0.014796 O\n0.805141 0.884575 0.985204 O\n0.899371 0.384575 0.579434 O\n0.100629 0.615425 0.420566 O\n0.600629 0.180063 0.485204 O\n0.399371 0.819937 0.514796 O\n",
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],
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"density": 4.221974083452991,
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"formula_full": "Ca12 Al8 Ge12 O48",
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"energy": -581.80291464,
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"spacegroup": 230
},
{
"id": "mp-1176705",
"created_at": "2022-09-04T14:44:07.873365Z",
"structure_string": "Li4 Fe4 F12\n1.0\n3.642255 -5.132267 0.000000\n3.642255 5.132267 0.000000\n0.000000 0.000000 6.453069\nLi Fe F\n4 4 12\ndirect\n0.502825 0.497175 0.250000 Li\n0.999782 0.000218 0.750000 Li\n0.000218 0.999782 0.250000 Li\n0.497175 0.502825 0.750000 Li\n0.000000 0.500000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.948186 0.685256 0.750000 F\n0.685256 0.948186 0.250000 F\n0.935244 0.683083 0.250000 F\n0.683083 0.935244 0.750000 F\n0.639777 0.360223 0.506289 F\n0.639777 0.360223 0.993711 F\n0.360223 0.639777 0.006289 F\n0.360223 0.639777 0.493711 F\n0.064756 0.316917 0.750000 F\n0.316917 0.064756 0.250000 F\n0.051814 0.314744 0.250000 F\n0.314744 0.051814 0.750000 F\n",
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"formula_full": "Li4 Fe4 F12",
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{
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"created_at": "2022-09-04T14:44:07.909962Z",
"structure_string": "Gd6 In2 O12\n1.0\n4.548464 -5.718492 0.000000\n4.548464 5.718492 0.000000\n0.000000 0.000000 5.679171\nGd In O\n6 2 12\ndirect\n0.090299 0.299879 0.469307 Gd\n0.299879 0.090299 0.969307 Gd\n0.600953 0.399047 0.420250 Gd\n0.399047 0.600953 0.920250 Gd\n0.700121 0.909701 0.469307 Gd\n0.909701 0.700121 0.969307 Gd\n0.810023 0.189977 0.985551 In\n0.189977 0.810023 0.485551 In\n0.322507 0.357115 0.195736 O\n0.357115 0.322507 0.695736 O\n0.566793 0.102415 0.191242 O\n0.102415 0.566793 0.691242 O\n0.972243 0.027757 0.158676 O\n0.781465 0.218535 0.630252 O\n0.218535 0.781465 0.130252 O\n0.027757 0.972243 0.658676 O\n0.897585 0.433207 0.191242 O\n0.433207 0.897585 0.691242 O\n0.677493 0.642885 0.695736 O\n0.642885 0.677493 0.195736 O\n",
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{
"id": "mp-775695",
"created_at": "2022-09-04T14:44:07.698183Z",
"structure_string": "Li4 Mn3 V2 Sb3 O16\n1.0\n-6.151795 0.000000 0.000000\n3.043148 5.453658 0.000000\n-0.006960 -0.493511 -9.804928\nLi Mn V Sb O\n4 3 2 3 16\ndirect\n0.658375 0.322738 0.885643 Li\n0.991519 0.976800 0.985339 Li\n0.999786 0.995086 0.502917 Li\n0.316712 0.638026 0.403789 Li\n0.829517 0.661344 0.213712 Mn\n0.168073 0.829514 0.710288 Mn\n0.664998 0.839371 0.709527 Mn\n0.681049 0.356051 0.499197 V\n0.346717 0.701817 0.973200 V\n0.337399 0.168195 0.216313 Sb\n0.831667 0.166619 0.214457 Sb\n0.171790 0.344520 0.716292 Sb\n0.342066 0.194020 0.597012 O\n0.519817 0.036905 0.336505 O\n0.652642 0.306424 0.102221 O\n0.010500 0.017941 0.317611 O\n0.023190 0.016576 0.803256 O\n0.855451 0.183800 0.598729 O\n0.501828 0.463294 0.341094 O\n0.956670 0.457712 0.341642 O\n0.155725 0.308893 0.106407 O\n0.854090 0.676911 0.588579 O\n0.030102 0.502124 0.846405 O\n0.466787 0.511626 0.850836 O\n0.313500 0.651716 0.606747 O\n0.178777 0.856941 0.098910 O\n0.454535 0.952945 0.845056 O\n0.686426 0.862096 0.096157 O\n",
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"formula_full": "Li4 Mn3 V2 Sb3 O16",
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{
"id": "mp-753112",
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"structure_string": "Li2 Mn6 O12\n1.0\n2.517915 4.477368 0.000000\n-2.517915 4.477368 0.000000\n0.000000 3.540622 10.167300\nLi Mn O\n2 6 12\ndirect\n0.250420 0.401213 0.243531 Li\n0.401213 0.250420 0.743531 Li\n0.328441 0.178666 0.007279 Mn\n0.178666 0.328441 0.507279 Mn\n0.001116 0.842828 0.997324 Mn\n0.515095 0.669224 0.493118 Mn\n0.842828 0.001116 0.497324 Mn\n0.669224 0.515095 0.993118 Mn\n0.991155 0.478117 0.107480 O\n0.796183 0.292921 0.594957 O\n0.210589 0.053613 0.403559 O\n0.053613 0.210589 0.903559 O\n0.624590 0.147154 0.095452 O\n0.336646 0.540785 0.895379 O\n0.478117 0.991155 0.607480 O\n0.540785 0.336646 0.395379 O\n0.894778 0.697791 0.404157 O\n0.697791 0.894778 0.904157 O\n0.292921 0.796183 0.094957 O\n0.147154 0.624590 0.595452 O\n",
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"formula_full": "Li2 Mn6 O12",
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{
"id": "mp-1104820",
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"structure_string": "Ho10 Ru4\n1.0\n0.000000 6.301741 0.000000\n0.001463 0.000000 7.268312\n7.771535 -3.150871 -0.982438\nHo Ru\n10 4\ndirect\n0.977778 0.915678 0.186541 Ho\n0.791237 0.584322 0.813459 Ho\n0.022222 0.084322 0.813459 Ho\n0.208763 0.415678 0.186541 Ho\n0.641016 0.814566 0.435214 Ho\n0.205802 0.685434 0.564786 Ho\n0.358984 0.185434 0.564786 Ho\n0.794198 0.314566 0.435214 Ho\n0.418767 0.750000 0.000000 Ho\n0.581233 0.250000 0.000000 Ho\n0.822471 0.576002 0.219963 Ru\n0.602508 0.923998 0.780037 Ru\n0.177529 0.423998 0.780037 Ru\n0.397492 0.076002 0.219963 Ru\n",
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{
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