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{
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{
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{
"id": "mp-1201534",
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"structure_string": "Ce6 Ge26 Os8\n1.0\n9.105891 0.000000 0.000000\n0.000000 9.105891 0.000000\n0.000000 0.000000 9.105891\nCe Ge Os\n6 26 8\ndirect\n0.000000 0.500000 0.750000 Ce\n0.500000 0.250000 0.000000 Ce\n0.750000 0.000000 0.500000 Ce\n0.000000 0.500000 0.250000 Ce\n0.500000 0.750000 0.000000 Ce\n0.250000 0.000000 0.500000 Ce\n0.500000 0.500000 0.500000 Ge\n0.000000 0.000000 0.000000 Ge\n0.804755 0.353448 0.500000 Ge\n0.646552 0.500000 0.804755 Ge\n0.500000 0.195245 0.646552 Ge\n0.195245 0.646552 0.500000 Ge\n0.353448 0.500000 0.195245 Ge\n0.500000 0.804755 0.353448 Ge\n0.804755 0.646552 0.500000 Ge\n0.646552 0.500000 0.195245 Ge\n0.195245 0.353448 0.500000 Ge\n0.353448 0.500000 0.804755 Ge\n0.500000 0.804755 0.646552 Ge\n0.500000 0.195245 0.353448 Ge\n0.304755 0.000000 0.853448 Ge\n0.146552 0.304755 0.000000 Ge\n0.000000 0.146552 0.695245 Ge\n0.695245 0.000000 0.146552 Ge\n0.853448 0.695245 0.000000 Ge\n0.000000 0.853448 0.304755 Ge\n0.304755 0.000000 0.146552 Ge\n0.146552 0.695245 0.000000 Ge\n0.695245 0.000000 0.853448 Ge\n0.853448 0.304755 0.000000 Ge\n0.000000 0.146552 0.304755 Ge\n0.000000 0.853448 0.695245 Ge\n0.750000 0.250000 0.750000 Os\n0.250000 0.750000 0.250000 Os\n0.750000 0.750000 0.250000 Os\n0.250000 0.250000 0.750000 Os\n0.250000 0.750000 0.750000 Os\n0.750000 0.250000 0.250000 Os\n0.250000 0.250000 0.250000 Os\n0.750000 0.750000 0.750000 Os\n",
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"formula_full": "Ce6 Ge26 Os8",
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},
{
"id": "mp-756543",
"created_at": "2022-09-04T14:46:34.025979Z",
"structure_string": "Li4 Fe1 Co5 O12\n1.0\n2.468819 4.288660 0.002354\n-2.455079 4.268471 0.003528\n-0.002420 0.006878 9.962026\nLi Fe Co O\n4 1 5 12\ndirect\n0.153946 0.511157 0.748486 Li\n0.341549 0.497168 0.250922 Li\n0.653888 0.508395 0.749071 Li\n0.840612 0.498950 0.249790 Li\n0.003246 0.999187 0.000191 Fe\n0.164757 0.668805 0.499232 Co\n0.668669 0.667667 0.000037 Co\n0.337576 0.329158 0.999728 Co\n0.836361 0.325369 0.499860 Co\n0.499301 0.999533 0.499534 Co\n0.010429 0.646395 0.105857 O\n0.346486 0.648095 0.894333 O\n0.163558 0.335942 0.398811 O\n0.507144 0.656754 0.398955 O\n0.497849 0.336539 0.600449 O\n0.164587 0.002228 0.595842 O\n0.834370 0.657448 0.600008 O\n0.658565 0.349799 0.105773 O\n0.338366 0.998549 0.098596 O\n0.995221 0.351150 0.893778 O\n0.668748 0.997783 0.901472 O\n0.830345 0.004517 0.403322 O\n",
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{
"id": "mp-1048921",
"created_at": "2022-09-04T14:46:33.850703Z",
"structure_string": "Ca2 La2 Cr2 W2 O12\n1.0\n5.578017 0.000142 0.042119\n0.000145 5.707456 -0.000081\n0.048705 -0.000111 7.886842\nCa La Cr W O\n2 2 2 2 12\ndirect\n0.484666 0.450700 0.748276 Ca\n0.984649 0.049378 0.248282 Ca\n0.013418 0.957048 0.752577 La\n0.513514 0.542967 0.252562 La\n0.500229 0.000317 0.499514 Cr\n0.000250 0.499683 0.999458 Cr\n0.499923 0.000525 0.000591 W\n0.999965 0.499467 0.500538 W\n0.087269 0.472085 0.247602 O\n0.587065 0.027781 0.747572 O\n0.200128 0.216236 0.948874 O\n0.700122 0.283747 0.448891 O\n0.208896 0.209443 0.545269 O\n0.708925 0.290553 0.045252 O\n0.295994 0.706014 0.952571 O\n0.795942 0.794024 0.452572 O\n0.304075 0.712485 0.552491 O\n0.804181 0.787555 0.052456 O\n0.405385 0.976444 0.252320 O\n0.905404 0.523549 0.752330 O\n",
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{
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"created_at": "2022-09-04T14:46:32.746583Z",
"structure_string": "Li3 Fe5 P6 O24\n1.0\n7.959093 0.000000 0.000000\n-2.674564 7.965179 0.000000\n-2.991387 -3.458975 7.583682\nLi Fe P O\n3 5 6 24\ndirect\n0.318537 0.800737 0.299867 Li\n0.706158 0.055981 0.003193 Li\n0.064834 0.236351 0.525964 Li\n0.823684 0.283188 0.843188 Fe\n0.553008 0.591869 0.238432 Fe\n0.227069 0.984980 0.037344 Fe\n0.495001 0.473397 0.681281 Fe\n0.997655 0.687692 0.450461 Fe\n0.844984 0.746104 0.075841 P\n0.655666 0.283636 0.410494 P\n0.729378 0.841017 0.611300 P\n0.345449 0.098397 0.749883 P\n0.244740 0.606336 0.885485 P\n0.143102 0.400705 0.258186 P\n0.902987 0.803004 0.601322 O\n0.627342 0.339295 0.580954 O\n0.824396 0.704860 0.238160 O\n0.708602 0.453075 0.355379 O\n0.812298 0.043872 0.734435 O\n0.450291 0.123133 0.258391 O\n0.728510 0.549394 0.918214 O\n0.814124 0.220117 0.439017 O\n0.270783 0.108309 0.891688 O\n0.310452 0.235272 0.673309 O\n0.584016 0.804207 0.421057 O\n0.406839 0.670776 0.074302 O\n0.205185 0.772800 0.875876 O\n0.941354 0.279970 0.085348 O\n0.572303 0.155270 0.845362 O\n0.248262 0.906933 0.594567 O\n0.309283 0.418177 0.200073 O\n0.761534 0.876309 0.046734 O\n0.309197 0.550482 0.744247 O\n0.050787 0.444938 0.845840 O\n0.612287 0.705891 0.668143 O\n0.073403 0.830076 0.128170 O\n0.142864 0.591801 0.335973 O\n0.183639 0.321652 0.394673 O\n",
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"formula_full": "Li3 Fe5 P6 O24",
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{
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"structure_string": "Mn6 Al4 F30\n1.0\n9.719467 0.000000 0.000000\n0.000000 5.332478 0.000000\n0.000000 1.643788 9.710875\nMn Al F\n6 4 30\ndirect\n0.490534 0.811021 0.165548 Mn\n0.500000 0.500000 0.500000 Mn\n0.509466 0.188979 0.834452 Mn\n0.009466 0.811021 0.165548 Mn\n0.000000 0.500000 0.500000 Mn\n0.990534 0.188979 0.834452 Mn\n0.250000 0.979278 0.592513 Al\n0.250000 0.644565 0.939328 Al\n0.750000 0.355435 0.060672 Al\n0.750000 0.020722 0.407487 Al\n0.250000 0.548736 0.113412 F\n0.250000 0.168249 0.436705 F\n0.250000 0.792709 0.764539 F\n0.750000 0.207291 0.235461 F\n0.750000 0.831751 0.563295 F\n0.750000 0.451264 0.886588 F\n0.607547 0.116908 0.032132 F\n0.617981 0.820602 0.341726 F\n0.581420 0.447996 0.675476 F\n0.418580 0.552004 0.324524 F\n0.382019 0.179398 0.658274 F\n0.392453 0.883092 0.967868 F\n0.886699 0.571954 0.102571 F\n0.885419 0.246030 0.448333 F\n0.892395 0.943193 0.786955 F\n0.107605 0.056807 0.213045 F\n0.114581 0.753970 0.551667 F\n0.113301 0.428046 0.897429 F\n0.392395 0.056807 0.213045 F\n0.385419 0.753970 0.551667 F\n0.386699 0.428046 0.897429 F\n0.613301 0.571954 0.102571 F\n0.614581 0.246030 0.448333 F\n0.607605 0.943193 0.786955 F\n0.892453 0.116908 0.032132 F\n0.882019 0.820602 0.341726 F\n0.918580 0.447996 0.675476 F\n0.081420 0.552004 0.324524 F\n0.117981 0.179398 0.658274 F\n0.107547 0.883092 0.967868 F\n",
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{
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"structure_string": "Li4 Cr3 Ni1 O8\n1.0\n-5.140440 -1.537224 2.518739\n-3.455036 -4.113077 -2.515208\n5.145996 -1.541027 2.515115\nLi Cr Ni O\n4 3 1 8\ndirect\n0.500002 0.499959 0.500031 Li\n0.000059 0.999950 0.500006 Li\n0.000092 0.500074 0.000127 Li\n0.500134 0.999974 0.000068 Li\n0.999768 0.499958 0.500039 Cr\n0.499795 0.499950 0.999671 Cr\n0.499931 0.999967 0.499978 Cr\n0.000083 0.000134 0.999993 Ni\n0.742897 0.742441 0.257547 O\n0.257108 0.257531 0.742465 O\n0.241411 0.239250 0.256056 O\n0.241397 0.744027 0.760780 O\n0.735691 0.246815 0.753142 O\n0.758632 0.760837 0.744087 O\n0.758613 0.255991 0.239189 O\n0.264383 0.753137 0.246823 O\n",
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{
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"formula_reduced": "Li4Mn3Fe(BO3)4",
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},
{
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"created_at": "2022-09-04T14:46:33.072929Z",
"structure_string": "Ce6 Th4 O19\n1.0\n9.782800 3.409014 0.000000\n-9.782800 3.409014 0.000000\n0.000000 2.256756 6.430132\nCe Th O\n6 4 19\ndirect\n0.025434 0.025434 0.995554 Ce\n0.495830 0.495830 0.524775 Ce\n0.094071 0.900193 0.497660 Ce\n0.601129 0.389566 0.995164 Ce\n0.900193 0.094071 0.497660 Ce\n0.389566 0.601129 0.995164 Ce\n0.798224 0.192023 0.000301 Th\n0.699267 0.301970 0.495733 Th\n0.301970 0.699267 0.495733 Th\n0.192023 0.798224 0.000301 Th\n0.230118 0.029321 0.124355 O\n0.822891 0.418851 0.122644 O\n0.418851 0.822891 0.122644 O\n0.724627 0.523231 0.629547 O\n0.491994 0.308008 0.354356 O\n0.317899 0.929293 0.621454 O\n0.029321 0.230118 0.124355 O\n0.070071 0.672245 0.375139 O\n0.929293 0.317899 0.621454 O\n0.672245 0.070071 0.375139 O\n0.945395 0.762420 0.899772 O\n0.523231 0.724627 0.629547 O\n0.308008 0.491994 0.354356 O\n0.575895 0.173468 0.870795 O\n0.129482 0.129482 0.628797 O\n0.173468 0.575895 0.870795 O\n0.858333 0.858333 0.358913 O\n0.762420 0.945395 0.899772 O\n0.393753 0.393753 0.893125 O\n",
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"elements": [
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],
"chemical_system": "Ce-O-Th",
"density": 8.025505051363549,
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"volume": 428.8859740886821,
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"formula_full": "Ce6 Th4 O19",
"formula_reduced": "Ce6Th4O19",
"formula_anonymous": "A4B6C19",
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},
{
"id": "mp-771001",
"created_at": "2022-09-04T14:46:34.181753Z",
"structure_string": "Li4 Ti3 Fe5 O16\n1.0\n2.917234 4.974396 0.000000\n-2.917234 4.974396 0.000000\n0.000000 0.136208 9.675609\nLi Ti Fe O\n4 3 5 16\ndirect\n0.670560 0.670560 0.891898 Li\n0.991157 0.991157 0.993388 Li\n0.994921 0.994921 0.496026 Li\n0.337105 0.337105 0.397404 Li\n0.347145 0.837844 0.218293 Ti\n0.837844 0.347145 0.218293 Ti\n0.173553 0.173553 0.721362 Ti\n0.669460 0.669460 0.502624 Fe\n0.825818 0.825818 0.210538 Fe\n0.339749 0.339749 0.996581 Fe\n0.174771 0.656391 0.711633 Fe\n0.656391 0.174771 0.711633 Fe\n0.327382 0.832170 0.600627 O\n0.518972 0.518972 0.331597 O\n0.658416 0.658416 0.096588 O\n0.998332 0.998332 0.308403 O\n0.994174 0.994174 0.805946 O\n0.832170 0.327382 0.600627 O\n0.524830 0.966294 0.338374 O\n0.966294 0.524830 0.338374 O\n0.163383 0.163383 0.097838 O\n0.837784 0.837784 0.611167 O\n0.036990 0.485168 0.834333 O\n0.485168 0.036990 0.834333 O\n0.336743 0.336743 0.604498 O\n0.151871 0.671734 0.103950 O\n0.480745 0.480745 0.828437 O\n0.671734 0.151871 0.103950 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
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"Fe",
"O"
],
"chemical_system": "Fe-Li-O-Ti",
"density": 4.178214733828297,
"density_atomic": 0.09970985938993339,
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"formula_full": "Li4 Ti3 Fe5 O16",
"formula_reduced": "Li4Ti3Fe5O16",
"formula_anonymous": "A3B4C5D16",
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"updated_at": "2021-11-28T01:37:35.572000Z",
"spacegroup": 8
}
]
}