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{
"id": "mp-556809",
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"structure_string": "Sr22 Os8 O48\n1.0\n-5.899038 5.899038 8.156395\n5.899038 -5.899038 8.156395\n5.899038 5.899038 -8.156395\nSr Os O\n22 8 48\ndirect\n0.120319 0.932129 0.234822 Sr\n0.033104 0.974632 0.532050 Sr\n0.487290 0.987290 0.500000 Sr\n0.737290 0.737290 0.000000 Sr\n0.114503 0.879681 0.811811 Sr\n0.716896 0.275368 0.967950 Sr\n0.012710 0.512710 0.500000 Sr\n0.635497 0.370319 0.688189 Sr\n0.067871 0.302692 0.188189 Sr\n0.697308 0.885497 0.765178 Sr\n0.682129 0.947308 0.311811 Sr\n0.500000 0.500000 0.000000 Sr\n0.052692 0.364503 0.734822 Sr\n0.250000 0.750000 0.500000 Sr\n0.025368 0.557418 0.058473 Sr\n0.629681 0.317871 0.265178 Sr\n0.307418 0.748946 0.032050 Sr\n0.498946 0.966896 0.941527 Sr\n0.724632 0.692582 0.441527 Sr\n0.442582 0.501054 0.467950 Sr\n0.262710 0.262710 0.000000 Sr\n0.251054 0.283104 0.558473 Sr\n0.875000 0.125000 0.750000 Os\n0.375000 0.625000 0.250000 Os\n0.375000 0.125000 0.750000 Os\n0.875000 0.125000 0.250000 Os\n0.375000 0.625000 0.750000 Os\n0.375000 0.125000 0.250000 Os\n0.875000 0.625000 0.750000 Os\n0.875000 0.625000 0.250000 Os\n0.711007 0.117827 0.248745 O\n0.358834 0.152714 0.417059 O\n0.238841 0.484794 0.512834 O\n0.882173 0.130918 0.593180 O\n0.480046 0.268981 0.765090 O\n0.537738 0.288993 0.406820 O\n0.902714 0.985655 0.293880 O\n0.735655 0.941775 0.582941 O\n0.273993 0.761159 0.245953 O\n0.847286 0.264345 0.206120 O\n0.263045 0.017285 0.521131 O\n0.496153 0.741914 0.478869 O\n0.731019 0.496108 0.211065 O\n0.946172 0.728701 0.973029 O\n0.982715 0.503847 0.245761 O\n0.391166 0.097286 0.082941 O\n0.014345 0.308225 0.917059 O\n0.503892 0.714956 0.234910 O\n0.755672 0.973143 0.026971 O\n0.515206 0.028040 0.754047 O\n0.803828 0.521299 0.526971 O\n0.253847 0.508086 0.021131 O\n0.880918 0.787738 0.748745 O\n0.486955 0.232715 0.978869 O\n0.271299 0.244328 0.217471 O\n0.778040 0.523993 0.012834 O\n0.491914 0.513045 0.745761 O\n0.867827 0.119082 0.906820 O\n0.058225 0.641166 0.793880 O\n0.869082 0.462262 0.751255 O\n0.723143 0.196172 0.717471 O\n0.026857 0.053828 0.782529 O\n0.246108 0.535044 0.265090 O\n0.476007 0.488841 0.254047 O\n0.994328 0.276857 0.473029 O\n0.269954 0.981019 0.734910 O\n0.464956 0.730046 0.711065 O\n0.511159 0.765206 0.987166 O\n0.018981 0.753892 0.288935 O\n0.212262 0.961007 0.093180 O\n0.971960 0.726007 0.487166 O\n0.767285 0.746153 0.254239 O\n0.038993 0.132173 0.251255 O\n0.258086 0.736955 0.754239 O\n0.691775 0.608834 0.706120 O\n0.478701 0.005672 0.282529 O\n0.285044 0.519954 0.788935 O\n0.234794 0.221960 0.745953 O\n",
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],
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"volume": 1135.3261174592192,
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"formula_full": "Sr22 Os8 O48",
"formula_reduced": "Sr11(OsO6)4",
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"spacegroup": 88
},
{
"id": "mp-1227249",
"created_at": "2022-09-04T14:45:06.573089Z",
"structure_string": "Ce2 Sb3 Rh4\n1.0\n4.285836 0.000000 0.000000\n0.000000 4.285836 0.000000\n0.000000 0.000000 10.317982\nCe Sb Rh\n2 3 4\ndirect\n0.000000 0.000000 0.025566 Ce\n0.500000 0.500000 0.476577 Ce\n0.000000 0.000000 0.631037 Sb\n0.000000 0.000000 0.355688 Sb\n0.500000 0.500000 0.929373 Sb\n0.000000 0.500000 0.201598 Rh\n0.500000 0.000000 0.778732 Rh\n0.500000 0.000000 0.201598 Rh\n0.000000 0.500000 0.778732 Rh\n",
"nsites": 9,
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"formula_full": "Ce2 Sb3 Rh4",
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{
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"structure_string": "Co6 O4 F8\n1.0\n4.716948 0.000000 0.000000\n0.346589 5.621715 0.000000\n0.444192 0.546915 7.659342\nCo O F\n6 4 8\ndirect\n0.513192 0.152750 0.835060 Co\n0.486808 0.847250 0.164940 Co\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.500000 Co\n0.017034 0.321591 0.158326 Co\n0.982966 0.678409 0.841674 Co\n0.699088 0.190247 0.608934 O\n0.679086 0.878035 0.941167 O\n0.300912 0.809753 0.391066 O\n0.320914 0.121965 0.058833 O\n0.806171 0.038443 0.268092 F\n0.802307 0.697379 0.600389 F\n0.801550 0.372317 0.933865 F\n0.698367 0.545690 0.256901 F\n0.301633 0.454310 0.743099 F\n0.198450 0.627683 0.066135 F\n0.193829 0.961557 0.731908 F\n0.197693 0.302621 0.399611 F\n",
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"formula_full": "Co6 O4 F8",
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"formula_anonymous": "A2B3C4",
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"updated_at": "2021-11-28T01:36:48.127000Z",
"spacegroup": 2
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{
"id": "mp-1521261",
"created_at": "2022-09-04T14:45:06.670931Z",
"structure_string": "Nd1 Eu2 Nb1 O6\n1.0\n0.000000 -4.298070 -4.298070\n4.298070 -0.000000 -4.298070\n4.298070 -4.298070 -0.000000\nNd Eu Nb O\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 Nd\n0.250000 0.250000 0.250000 Eu\n0.750000 0.750000 0.750000 Eu\n-0.000000 0.000000 0.000000 Nb\n0.766733 0.233267 0.233267 O\n0.233267 0.766733 0.766733 O\n0.766733 0.233267 0.766733 O\n0.233267 0.766733 0.233267 O\n0.766733 0.766733 0.233267 O\n0.233267 0.233267 0.766733 O\n",
"nsites": 10,
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"elements": [
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"formula_full": "Nd1 Eu2 Nb1 O6",
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"energy": -97.27502736,
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"spacegroup": 225
},
{
"id": "mp-1174912",
"created_at": "2022-09-04T14:45:06.673917Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n4.357574 2.512458 0.000000\n-4.357574 2.512458 0.000000\n0.000000 1.679064 9.647603\nLi Mn Co O\n7 2 3 12\ndirect\n0.738097 0.726488 0.772464 Li\n0.584951 0.933860 0.227949 Li\n0.273512 0.261903 0.227536 Li\n0.066140 0.415049 0.772051 Li\n0.913493 0.576405 0.227684 Li\n0.423595 0.086507 0.772316 Li\n0.667123 0.332877 0.000000 Li\n0.999728 0.000272 0.000000 Mn\n0.832240 0.167760 0.500000 Mn\n0.500427 0.499573 0.500000 Co\n0.333241 0.666759 0.000000 Co\n0.167269 0.832731 0.500000 Co\n0.631473 0.653240 0.112173 O\n0.476189 0.812244 0.609877 O\n0.118815 0.132275 0.607730 O\n0.984741 0.293716 0.111578 O\n0.794305 0.444802 0.613765 O\n0.272152 0.941215 0.111985 O\n0.867725 0.881185 0.392270 O\n0.706284 0.015259 0.888422 O\n0.346760 0.368527 0.887827 O\n0.187756 0.523811 0.390123 O\n0.058785 0.727848 0.888015 O\n0.555198 0.205695 0.386235 O\n",
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],
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"formula_full": "Li7 Mn2 Co3 O12",
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{
"id": "mp-770785",
"created_at": "2022-09-04T14:45:06.513171Z",
"structure_string": "Na12 Mn4 B8 As2 O32\n1.0\n0.000000 7.012122 7.012122\n7.012122 0.000000 7.012122\n7.012122 7.012122 0.000000\nNa Mn B As O\n12 4 8 2 32\ndirect\n0.282983 0.717017 0.282983 Na\n0.532983 0.967017 0.532983 Na\n0.282983 0.717017 0.717017 Na\n0.282983 0.282983 0.717017 Na\n0.532983 0.967017 0.967017 Na\n0.532983 0.532983 0.967017 Na\n0.717017 0.282983 0.282983 Na\n0.717017 0.717017 0.282983 Na\n0.967017 0.967017 0.532983 Na\n0.967017 0.532983 0.532983 Na\n0.717017 0.282983 0.717017 Na\n0.967017 0.532983 0.967017 Na\n0.625000 0.125000 0.125000 Mn\n0.125000 0.625000 0.125000 Mn\n0.125000 0.125000 0.125000 Mn\n0.125000 0.125000 0.625000 Mn\n0.334846 0.334846 0.334846 B\n0.334846 0.995462 0.334846 B\n0.995462 0.334846 0.334846 B\n0.915154 0.915154 0.254538 B\n0.254538 0.915154 0.915154 B\n0.334846 0.334846 0.995462 B\n0.915154 0.254538 0.915154 B\n0.915154 0.915154 0.915154 B\n0.500000 0.500000 0.500000 As\n0.750000 0.750000 0.750000 As\n0.489987 0.304418 0.217248 O\n0.570773 0.570773 0.287680 O\n0.489987 0.988347 0.304418 O\n0.304418 0.988347 0.217248 O\n0.570773 0.570773 0.570773 O\n0.570773 0.287680 0.570773 O\n0.217248 0.489987 0.304418 O\n0.304418 0.217248 0.489987 O\n0.287680 0.570773 0.570773 O\n0.988347 0.489987 0.217248 O\n0.032752 0.945582 0.261653 O\n0.217248 0.988347 0.489987 O\n0.988347 0.217248 0.304418 O\n0.945582 0.760013 0.261653 O\n0.489987 0.217248 0.988347 O\n0.261653 0.945582 0.760013 O\n0.760013 0.032752 0.261653 O\n0.988347 0.304418 0.489987 O\n0.304418 0.489987 0.988347 O\n0.261653 0.032752 0.945582 O\n0.032752 0.261653 0.760013 O\n0.217248 0.304418 0.988347 O\n0.261653 0.760013 0.032752 O\n0.962320 0.679227 0.679227 O\n0.945582 0.032752 0.760013 O\n0.032752 0.760013 0.945582 O\n0.679227 0.962320 0.679227 O\n0.679227 0.679227 0.679227 O\n0.945582 0.261653 0.032752 O\n0.760013 0.261653 0.945582 O\n0.679227 0.679227 0.962320 O\n0.760013 0.945582 0.032752 O\n",
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"formula_full": "Na12 Mn4 B8 As2 O32",
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{
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"structure_string": "Ce4 Al2 Ge12\n1.0\n4.317583 4.218412 0.000000\n-4.317583 4.218412 0.000000\n0.000000 2.147494 10.456909\nCe Al Ge\n4 2 12\ndirect\n0.836213 0.333612 0.663567 Ce\n0.333612 0.836213 0.663567 Ce\n0.163787 0.666388 0.336433 Ce\n0.666388 0.163787 0.336433 Ce\n0.800378 0.800378 0.801365 Al\n0.199622 0.199622 0.198635 Al\n0.147169 0.147169 0.437781 Ge\n0.852831 0.852831 0.562219 Ge\n0.361442 0.361442 0.584458 Ge\n0.638558 0.638558 0.415542 Ge\n0.065009 0.494222 0.883928 Ge\n0.494222 0.065009 0.883928 Ge\n0.934991 0.505778 0.116072 Ge\n0.505778 0.934991 0.116072 Ge\n0.067257 0.067257 0.883941 Ge\n0.932743 0.932743 0.116059 Ge\n0.491827 0.491827 0.883629 Ge\n0.508173 0.508173 0.116371 Ge\n",
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{
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"structure_string": "Mg6 Fe4 O14\n1.0\n5.429767 0.000517 -0.000082\n0.000487 4.940938 -1.333620\n-0.000155 -0.186596 9.139656\nMg Fe O\n6 4 14\ndirect\n0.682138 0.764674 0.999690 Mg\n0.182147 0.235342 0.000353 Mg\n0.830132 0.566232 0.615816 Mg\n0.330179 0.433796 0.384173 Mg\n0.830047 0.950303 0.384187 Mg\n0.330091 0.049670 0.615798 Mg\n0.752333 0.354969 0.209077 Fe\n0.252355 0.645051 0.790912 Fe\n0.252370 0.853775 0.208887 Fe\n0.752438 0.146239 0.791113 Fe\n0.701040 0.923254 0.588299 O\n0.200997 0.076921 0.411753 O\n0.201064 0.665346 0.588131 O\n0.701078 0.334713 0.411808 O\n0.058001 0.316479 0.731606 O\n0.558071 0.683441 0.268382 O\n0.558450 0.416009 0.732180 O\n0.058364 0.583932 0.267841 O\n0.922649 0.860039 0.843710 O\n0.422703 0.139996 0.156299 O\n0.809020 0.380135 0.999926 O\n0.309067 0.619748 0.000087 O\n0.922665 0.015615 0.156201 O\n0.422607 0.984322 0.843773 O\n",
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{
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{
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{
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"structure_string": "Ca32 Ti12 Mn20 O96\n1.0\n10.865151 0.000000 -0.001553\n0.000000 15.229453 0.000000\n-0.001535 0.000000 10.708203\nCa Ti Mn O\n32 12 20 96\ndirect\n0.019421 0.125000 0.496228 Ca\n0.019435 0.125000 0.995943 Ca\n0.022571 0.625000 0.497430 Ca\n0.019420 0.625000 0.994784 Ca\n0.524285 0.125000 0.495572 Ca\n0.524311 0.125000 0.995243 Ca\n0.523554 0.625000 0.495704 Ca\n0.523986 0.625000 0.995146 Ca\n0.480454 0.374706 0.004256 Ca\n0.479380 0.376113 0.505613 Ca\n0.480454 0.875294 0.004256 Ca\n0.479380 0.873887 0.505613 Ca\n0.976026 0.375777 0.002798 Ca\n0.976251 0.375817 0.505128 Ca\n0.976026 0.874223 0.002798 Ca\n0.976251 0.874183 0.505128 Ca\n0.230340 0.375304 0.246906 Ca\n0.229217 0.376531 0.744642 Ca\n0.230340 0.874696 0.246906 Ca\n0.229217 0.873469 0.744643 Ca\n0.725912 0.374830 0.245844 Ca\n0.726417 0.375170 0.744987 Ca\n0.725912 0.875170 0.245844 Ca\n0.726417 0.874830 0.744988 Ca\n0.274215 0.125000 0.253982 Ca\n0.274395 0.125000 0.753788 Ca\n0.274161 0.625000 0.255544 Ca\n0.272884 0.625000 0.751847 Ca\n0.769257 0.125000 0.255179 Ca\n0.769210 0.125000 0.754772 Ca\n0.769063 0.625000 0.254604 Ca\n0.772952 0.625000 0.755124 Ca\n0.998665 0.999905 0.250073 Ti\n0.998436 0.999246 0.749773 Ti\n0.998884 0.499766 0.250407 Ti\n0.251226 0.999832 0.000057 Ti\n0.251063 0.999308 0.500768 Ti\n0.250744 0.499978 0.999217 Ti\n0.251226 0.250168 0.000057 Ti\n0.251063 0.250692 0.500768 Ti\n0.250744 0.750022 0.999217 Ti\n0.998665 0.250095 0.250073 Ti\n0.998436 0.250754 0.749773 Ti\n0.998884 0.750234 0.250407 Ti\n0.000790 0.501361 0.749645 Mn\n0.501517 0.000255 0.251713 Mn\n0.501688 0.000074 0.751608 Mn\n0.500366 0.499519 0.251483 Mn\n0.501552 0.500723 0.750009 Mn\n0.251805 0.501287 0.498889 Mn\n0.748353 0.999842 0.001730 Mn\n0.748312 0.999650 0.501614 Mn\n0.748522 0.499313 0.000202 Mn\n0.750097 0.500546 0.501880 Mn\n0.251805 0.748713 0.498889 Mn\n0.748353 0.250158 0.001730 Mn\n0.748312 0.250350 0.501614 Mn\n0.748522 0.750687 0.000202 Mn\n0.750097 0.749454 0.501880 Mn\n0.000790 0.748639 0.749645 Mn\n0.501517 0.249745 0.251713 Mn\n0.501688 0.249926 0.751608 Mn\n0.500366 0.750481 0.251483 Mn\n0.501552 0.749277 0.750009 Mn\n0.105064 0.270283 0.103893 O\n0.104981 0.269615 0.603688 O\n0.105612 0.770235 0.104917 O\n0.104235 0.770246 0.602553 O\n0.602890 0.270430 0.102455 O\n0.602732 0.270504 0.602349 O\n0.602891 0.770297 0.102634 O\n0.603890 0.770300 0.602940 O\n0.397207 0.230867 0.393977 O\n0.397621 0.230224 0.893945 O\n0.397075 0.728881 0.397264 O\n0.396661 0.730250 0.893136 O\n0.892715 0.230788 0.397511 O\n0.893039 0.231292 0.897539 O\n0.892525 0.730504 0.397341 O\n0.896298 0.729672 0.897472 O\n0.145210 0.230234 0.354053 O\n0.144225 0.230350 0.853703 O\n0.146719 0.730028 0.355563 O\n0.143532 0.729733 0.852666 O\n0.647035 0.229624 0.352405 O\n0.647132 0.229580 0.852582 O\n0.646285 0.729668 0.352804 O\n0.646730 0.729455 0.852669 O\n0.357233 0.269163 0.147641 O\n0.356963 0.268824 0.647664 O\n0.356722 0.769489 0.147265 O\n0.354266 0.770151 0.646899 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{
"id": "mp-1224816",
"created_at": "2022-09-04T14:45:06.836346Z",
"structure_string": "Gd1 Mg3 Ni8\n1.0\n8.078098 -2.443449 0.000000\n8.078098 2.443449 0.000000\n7.339007 0.000000 4.167143\nGd Mg Ni\n1 3 8\ndirect\n0.000428 0.000428 0.000428 Gd\n0.499651 0.499651 0.499651 Mg\n0.128507 0.128507 0.128507 Mg\n0.620653 0.620653 0.620653 Mg\n0.563753 0.065203 0.563753 Ni\n0.062828 0.557784 0.062828 Ni\n0.065203 0.563753 0.563753 Ni\n0.557784 0.062828 0.062828 Ni\n0.812626 0.812626 0.812626 Ni\n0.311984 0.311984 0.311984 Ni\n0.563753 0.563753 0.065203 Ni\n0.062828 0.062828 0.557784 Ni\n",
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}
]
}