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{
"id": "mp-13504",
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"structure_string": "Ce2 Al8 Co2\n1.0\n4.045434 0.000000 0.000000\n0.000000 6.821246 0.000000\n0.000000 0.000000 7.614856\nCe Al Co\n2 8 2\ndirect\n0.000000 0.615503 0.750000 Ce\n0.000000 0.384497 0.250000 Ce\n0.500000 0.302142 0.569044 Al\n0.500000 0.697858 0.430956 Al\n0.500000 0.302142 0.930956 Al\n0.500000 0.697858 0.069044 Al\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.500000 0.044908 0.250000 Al\n0.500000 0.955093 0.750000 Al\n0.000000 0.193624 0.750000 Co\n0.000000 0.806376 0.250000 Co\n",
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{
"id": "mp-1275541",
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"structure_string": "Sr3 Mn2 Cu2 S2 O5\n1.0\n3.920590 0.000118 0.000363\n0.000118 3.920477 0.000356\n1.961587 1.961527 13.760623\nSr Mn Cu S O\n3 2 2 2 5\ndirect\n0.499858 0.499854 0.000273 Sr\n0.359586 0.359591 0.280739 Sr\n0.640450 0.640457 0.719138 Sr\n0.073360 0.073364 0.853481 Mn\n0.926618 0.926626 0.146563 Mn\n0.749945 0.250019 0.499968 Cu\n0.249975 0.749850 0.500034 Cu\n0.800901 0.800894 0.398557 S\n0.199213 0.199206 0.601387 S\n0.999906 0.999940 0.000111 O\n0.916199 0.416117 0.167550 O\n0.416108 0.916219 0.167559 O\n0.083923 0.583951 0.832326 O\n0.583960 0.083911 0.832314 O\n",
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},
{
"id": "mp-1216257",
"created_at": "2022-09-04T14:44:58.954546Z",
"structure_string": "Y8 Mg1 Cu7 O20\n1.0\n-0.007857 -3.531561 -0.004872\n-10.902951 -0.024345 0.041958\n0.047804 -0.016930 -12.646508\nY Mg Cu O\n8 1 7 20\ndirect\n0.224099 0.292986 0.335722 Y\n0.778436 0.708500 0.836682 Y\n0.720059 0.209482 0.834752 Y\n0.268059 0.791535 0.340611 Y\n0.222965 0.460313 0.011073 Y\n0.779653 0.540718 0.509127 Y\n0.719034 0.041523 0.508833 Y\n0.272548 0.960315 0.006376 Y\n0.762087 0.750701 0.125102 Mg\n0.842630 0.009854 0.223555 Cu\n0.158693 0.986533 0.724227 Cu\n0.340485 0.486837 0.725609 Cu\n0.662426 0.515682 0.226393 Cu\n0.661848 0.240302 0.120401 Cu\n0.342303 0.758860 0.620838 Cu\n0.156727 0.260244 0.619220 Cu\n0.782593 0.071210 0.078890 O\n0.223641 0.924800 0.572399 O\n0.277866 0.425252 0.574692 O\n0.727253 0.575780 0.076358 O\n0.229253 0.077349 0.862305 O\n0.772718 0.928765 0.359813 O\n0.729426 0.423855 0.363542 O\n0.272814 0.576287 0.864891 O\n0.726954 0.325172 0.981755 O\n0.275314 0.671731 0.484071 O\n0.221686 0.173107 0.480116 O\n0.769443 0.831332 0.978687 O\n0.725673 0.178211 0.268610 O\n0.280382 0.821674 0.768856 O\n0.216812 0.321906 0.769072 O\n0.768788 0.680704 0.277650 O\n0.352171 0.378280 0.173549 O\n0.652055 0.621608 0.673828 O\n0.852571 0.122788 0.671824 O\n0.230539 0.855800 0.165768 O\n",
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{
"id": "mp-1357240",
"created_at": "2022-09-04T14:44:57.162459Z",
"structure_string": "Ca2 La5 Mn7 Ni1 O24\n1.0\n-5.477639 0.000000 0.000000\n-0.000306 -7.692008 0.000000\n-0.022127 -0.019654 10.982214\nCa La Mn Ni O\n2 5 7 1 24\ndirect\n0.996510 0.750195 0.516472 Ca\n0.512694 0.751923 0.273105 Ca\n0.003942 0.246160 0.977754 La\n0.504781 0.755007 0.760061 La\n0.002706 0.248596 0.499432 La\n0.494189 0.247828 0.240297 La\n0.003931 0.754197 0.009383 La\n0.004204 0.493731 0.747324 Mn\n0.502033 0.500937 0.504746 Mn\n0.999245 0.505674 0.252947 Mn\n0.005831 0.004677 0.748970 Mn\n0.502048 0.998708 0.504160 Mn\n0.997309 0.995471 0.252338 Mn\n0.500925 0.498654 0.998829 Mn\n0.501486 0.002466 0.999261 Ni\n0.446944 0.743823 0.990073 O\n0.785230 0.968227 0.883341 O\n0.778602 0.532204 0.888820 O\n0.259868 0.475072 0.868153 O\n0.253981 0.018802 0.863306 O\n0.938617 0.249120 0.744334 O\n0.056874 0.748673 0.747848 O\n0.731049 0.958533 0.630863 O\n0.731848 0.541658 0.632390 O\n0.214788 0.482323 0.605778 O\n0.216197 0.016211 0.604477 O\n0.559189 0.249634 0.487708 O\n0.431196 0.750149 0.495201 O\n0.780003 0.537760 0.389212 O\n0.780443 0.962387 0.391633 O\n0.275982 0.467286 0.362101 O\n0.278010 0.033545 0.362863 O\n0.938372 0.250370 0.260608 O\n0.081092 0.750502 0.242527 O\n0.729802 0.964184 0.146041 O\n0.723440 0.540712 0.142586 O\n0.216743 0.464548 0.112516 O\n0.210430 0.034688 0.116199 O\n0.563072 0.257427 0.016284 O\n",
"nsites": 39,
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"elements": [
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],
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"volume": 462.72507701127194,
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"formula_full": "Ca2 La5 Mn7 Ni1 O24",
"formula_reduced": "Ca2La5Mn7NiO24",
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"energy": -321.28879091,
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{
"id": "mp-1093974",
"created_at": "2022-09-04T14:44:57.167809Z",
"structure_string": "Cr1 Tc1 Ge2\n1.0\n-4.794857 5.067200 7.417911\n4.794857 -5.067200 7.417911\n4.794857 5.067200 -7.417911\nCr Tc Ge\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Tc\n0.000000 0.254238 0.254238 Ge\n0.000000 0.745762 0.745762 Ge\n",
"nsites": 4,
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"formula_full": "Cr1 Tc1 Ge2",
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{
"id": "mp-776777",
"created_at": "2022-09-04T14:44:57.134665Z",
"structure_string": "Li4 Cr1 Co2 Ni3 P6 O24\n1.0\n8.354176 0.000000 0.000000\n3.820902 7.561441 0.000000\n3.816736 2.381717 7.179310\nLi Cr Co Ni P O\n4 1 2 3 6 24\ndirect\n0.251887 0.645526 0.853429 Li\n0.729393 0.354395 0.148660 Li\n0.356397 0.146336 0.730090 Li\n0.146710 0.727961 0.355581 Li\n0.144057 0.144152 0.147252 Cr\n0.986500 0.003468 0.997456 Co\n0.510510 0.502077 0.495864 Co\n0.857984 0.854592 0.854012 Ni\n0.642447 0.645318 0.644262 Ni\n0.354254 0.350620 0.353748 Ni\n0.947267 0.550453 0.252656 P\n0.553646 0.249307 0.950800 P\n0.250917 0.950279 0.550928 P\n0.751799 0.046261 0.455279 P\n0.447666 0.750383 0.044931 P\n0.053282 0.455708 0.752988 P\n0.888936 0.498716 0.694940 O\n0.686874 0.891899 0.485896 O\n0.946470 0.738103 0.088042 O\n0.455571 0.690602 0.896026 O\n0.987646 0.388007 0.188559 O\n0.750321 0.566578 0.402272 O\n0.749120 0.096002 0.928871 O\n0.548436 0.410855 0.762895 O\n0.821258 0.013463 0.606958 O\n0.398478 0.750454 0.569896 O\n0.904643 0.073766 0.251379 O\n0.610370 0.813420 0.996438 O\n0.391662 0.179274 0.993846 O\n0.100414 0.926208 0.749534 O\n0.599035 0.246810 0.431960 O\n0.184648 0.988856 0.390771 O\n0.432479 0.596519 0.243581 O\n0.244727 0.907043 0.077445 O\n0.252840 0.427923 0.596849 O\n0.040439 0.603468 0.817365 O\n0.527162 0.314280 0.105682 O\n0.073050 0.253283 0.907629 O\n0.318944 0.103139 0.524710 O\n0.101760 0.521499 0.323521 O\n",
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{
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"structure_string": "Li2 Fe8 B8 O24\n1.0\n9.049847 0.000000 0.000000\n0.000000 5.319952 0.000000\n0.000000 5.227182 10.092738\nLi Fe B O\n2 8 8 24\ndirect\n0.254131 0.494785 0.153855 Li\n0.745869 0.494785 0.653855 Li\n0.414553 0.960869 0.878376 Fe\n0.406676 0.533952 0.629384 Fe\n0.593324 0.533952 0.129384 Fe\n0.585447 0.960869 0.378376 Fe\n0.917730 0.032738 0.625019 Fe\n0.079452 0.468224 0.377427 Fe\n0.920548 0.468224 0.877427 Fe\n0.082270 0.032738 0.125019 Fe\n0.420740 0.466646 0.372579 B\n0.577036 0.045631 0.630175 B\n0.422964 0.045631 0.130175 B\n0.579260 0.466646 0.872579 B\n0.919862 0.536593 0.126650 B\n0.917842 0.954202 0.379672 B\n0.082158 0.954202 0.879672 B\n0.080138 0.536593 0.626650 B\n0.282481 0.408441 0.347235 O\n0.438866 0.835772 0.085489 O\n0.292670 0.165318 0.128754 O\n0.447857 0.122175 0.676944 O\n0.543152 0.364291 0.331776 O\n0.456848 0.364291 0.831776 O\n0.446823 0.638927 0.433920 O\n0.553177 0.638927 0.933920 O\n0.707330 0.165318 0.628754 O\n0.561134 0.835772 0.585489 O\n0.552143 0.122175 0.176944 O\n0.785924 0.644183 0.135604 O\n0.717519 0.408441 0.847235 O\n0.965942 0.860649 0.831054 O\n0.942391 0.158870 0.420121 O\n0.779225 0.839297 0.393683 O\n0.931433 0.356933 0.069992 O\n0.068567 0.356933 0.569992 O\n0.049842 0.601176 0.174451 O\n0.950158 0.601176 0.674451 O\n0.034058 0.860649 0.331054 O\n0.220775 0.839297 0.893683 O\n0.057609 0.158870 0.920121 O\n0.214076 0.644183 0.635604 O\n",
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{
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{
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]
}