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{
"id": "mp-1200522",
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"structure_string": "Na8 La4 H8 C20 O44\n1.0\n11.821485 0.000000 0.000000\n0.000000 7.910069 0.000000\n0.000000 5.613846 11.909788\nNa La H C O\n8 4 8 20 44\ndirect\n0.793446 0.783395 0.574706 Na\n0.706554 0.783395 0.074706 Na\n0.206554 0.216605 0.425294 Na\n0.293446 0.216605 0.925294 Na\n0.188643 0.220829 0.166371 Na\n0.311357 0.220829 0.666371 Na\n0.811357 0.779171 0.833629 Na\n0.688643 0.779171 0.333629 Na\n0.814561 0.295939 0.825898 La\n0.685439 0.295939 0.325898 La\n0.185439 0.704061 0.174102 La\n0.314561 0.704061 0.674102 La\n0.933854 0.799661 0.370987 H\n0.566146 0.799661 0.870987 H\n0.066146 0.200339 0.629013 H\n0.433854 0.200339 0.129013 H\n0.900864 0.995721 0.362184 H\n0.599136 0.995721 0.862184 H\n0.099136 0.004279 0.637816 H\n0.400864 0.004279 0.137816 H\n0.026109 0.082418 0.010041 C\n0.473891 0.082418 0.510041 C\n0.973891 0.917582 0.989959 C\n0.526109 0.917582 0.489959 C\n0.078374 0.413335 0.738906 C\n0.421626 0.413335 0.238906 C\n0.921626 0.586665 0.261094 C\n0.578374 0.586665 0.761094 C\n0.031283 0.605539 0.727232 C\n0.468717 0.605539 0.227232 C\n0.968717 0.394461 0.272768 C\n0.531283 0.394461 0.772768 C\n0.757883 0.388177 0.551140 C\n0.742117 0.388177 0.051140 C\n0.242117 0.611823 0.448860 C\n0.257883 0.611823 0.948860 C\n0.778513 0.174620 0.601533 C\n0.721487 0.174620 0.101533 C\n0.221487 0.825380 0.398467 C\n0.278513 0.825380 0.898467 C\n0.977141 0.238227 0.966292 O\n0.522859 0.238227 0.466292 O\n0.022859 0.761773 0.033708 O\n0.477141 0.761773 0.533708 O\n0.116004 0.046564 0.069484 O\n0.383996 0.046564 0.569484 O\n0.883996 0.953436 0.930516 O\n0.616004 0.953436 0.430516 O\n0.006507 0.297544 0.734287 O\n0.493493 0.297544 0.234287 O\n0.993493 0.702456 0.265713 O\n0.506507 0.702456 0.765713 O\n0.184259 0.389093 0.749517 O\n0.315741 0.389093 0.249517 O\n0.815741 0.610907 0.250483 O\n0.684259 0.610907 0.750483 O\n0.926140 0.613395 0.745546 O\n0.573860 0.613395 0.245546 O\n0.073860 0.386605 0.254454 O\n0.426140 0.386605 0.754454 O\n0.100635 0.739952 0.698225 O\n0.399365 0.739952 0.198225 O\n0.899365 0.260048 0.301775 O\n0.600635 0.260048 0.801775 O\n0.782409 0.470157 0.612470 O\n0.717591 0.470157 0.112470 O\n0.217591 0.529843 0.387530 O\n0.282409 0.529843 0.887530 O\n0.719556 0.465676 0.452367 O\n0.780444 0.465676 0.952367 O\n0.280444 0.534324 0.547633 O\n0.219556 0.534324 0.047633 O\n0.796709 0.093163 0.706442 O\n0.703291 0.093163 0.206442 O\n0.203291 0.906837 0.293558 O\n0.296709 0.906837 0.793558 O\n0.776302 0.099951 0.533471 O\n0.723698 0.099951 0.033471 O\n0.223698 0.900049 0.466529 O\n0.276302 0.900049 0.966529 O\n0.883928 0.861595 0.404132 O\n0.616072 0.861595 0.904132 O\n0.116072 0.138405 0.595868 O\n0.383928 0.138405 0.095868 O\n",
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"formula_full": "Na8 La4 H8 C20 O44",
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{
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"structure_string": "Tb16 Mg4 Ni4\n1.0\n0.000000 6.821226 6.821226\n6.821226 0.000000 6.821226\n6.821226 6.821226 0.000000\nTb Mg Ni\n16 4 4\ndirect\n0.184266 0.815734 0.815734 Tb\n0.815734 0.184266 0.184266 Tb\n0.815734 0.184266 0.815734 Tb\n0.184266 0.815734 0.184266 Tb\n0.815734 0.815734 0.184266 Tb\n0.184266 0.184266 0.815734 Tb\n0.061941 0.438059 0.438059 Tb\n0.438059 0.061941 0.061941 Tb\n0.438059 0.061941 0.438059 Tb\n0.061941 0.438059 0.061941 Tb\n0.438059 0.438059 0.061941 Tb\n0.061941 0.061941 0.438059 Tb\n0.596070 0.596070 0.596070 Tb\n0.596070 0.596070 0.211789 Tb\n0.596070 0.211789 0.596070 Tb\n0.211789 0.596070 0.596070 Tb\n0.830279 0.830279 0.830279 Mg\n0.830279 0.830279 0.509163 Mg\n0.830279 0.509163 0.830279 Mg\n0.509163 0.830279 0.830279 Mg\n0.391462 0.391462 0.391462 Ni\n0.391462 0.391462 0.825615 Ni\n0.391462 0.825615 0.391462 Ni\n0.825615 0.391462 0.391462 Ni\n",
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{
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"structure_string": "Ti2 S10 Cl4 O12\n1.0\n8.862023 -0.076828 0.867194\n-0.442689 7.900104 3.163687\n-0.309604 -0.132033 11.605107\nTi S Cl O\n2 10 4 12\ndirect\n0.752258 0.068908 0.834572 Ti\n0.247742 0.931092 0.165428 Ti\n0.070336 0.326721 0.831550 S\n0.929664 0.673279 0.168450 S\n0.429460 0.921582 0.747598 S\n0.570540 0.078418 0.252402 S\n0.030970 0.924022 0.683595 S\n0.969030 0.075978 0.316405 S\n0.517934 0.380930 0.860533 S\n0.482066 0.619070 0.139467 S\n0.763409 0.356322 0.487765 S\n0.236591 0.643678 0.512235 S\n0.271475 0.619773 0.785590 Cl\n0.728525 0.380227 0.214410 Cl\n0.156930 0.135859 0.564207 Cl\n0.843070 0.864141 0.435793 Cl\n0.944485 0.191933 0.855278 O\n0.055515 0.808067 0.144722 O\n0.566277 0.028938 0.755595 O\n0.433723 0.971062 0.244405 O\n0.883721 0.984504 0.724708 O\n0.116279 0.015496 0.275292 O\n0.633069 0.246038 0.880966 O\n0.366931 0.753962 0.119034 O\n0.765483 0.328233 0.623408 O\n0.234517 0.671767 0.376592 O\n0.736059 0.906861 0.967023 O\n0.263941 0.093139 0.032977 O\n",
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"formula_full": "Ti2 S10 Cl4 O12",
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{
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"created_at": "2022-09-04T14:42:48.521837Z",
"structure_string": "La3 Cd3 Au3\n1.0\n3.985017 -6.902252 0.000000\n3.985017 6.902252 0.000000\n0.000000 0.000000 4.219486\nLa Cd Au\n3 3 3\ndirect\n0.408917 0.000000 0.000000 La\n0.591083 0.591083 0.000000 La\n0.000000 0.408917 0.000000 La\n0.750432 0.000000 0.500000 Cd\n0.249568 0.249568 0.500000 Cd\n0.000000 0.750432 0.500000 Cd\n0.666667 0.333333 0.500000 Au\n0.333333 0.666667 0.500000 Au\n0.000000 0.000000 0.000000 Au\n",
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{
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"structure_string": "Li4 Ag4 F16\n1.0\n8.443671 0.000000 0.000000\n0.000000 5.967909 0.000000\n0.000000 4.063985 6.768133\nLi Ag F\n4 4 16\ndirect\n0.503222 0.361018 0.847990 Li\n0.003222 0.638982 0.652010 Li\n0.996778 0.361018 0.347990 Li\n0.496778 0.638982 0.152010 Li\n0.163607 0.027664 0.111710 Ag\n0.663607 0.972336 0.388290 Ag\n0.336393 0.027664 0.611710 Ag\n0.836393 0.972336 0.888290 Ag\n0.989117 0.265621 0.759029 F\n0.697706 0.165147 0.972744 F\n0.516430 0.773900 0.324006 F\n0.296901 0.336036 0.963330 F\n0.796901 0.663964 0.536670 F\n0.197706 0.834853 0.527256 F\n0.489117 0.734379 0.740971 F\n0.983570 0.773900 0.824006 F\n0.016430 0.226100 0.175994 F\n0.510883 0.265621 0.259029 F\n0.802294 0.165147 0.472744 F\n0.203099 0.336036 0.463330 F\n0.703099 0.663964 0.036670 F\n0.483570 0.226100 0.675994 F\n0.302294 0.834853 0.027256 F\n0.010883 0.734379 0.240971 F\n",
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{
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"structure_string": "Y2 Cd1 Ir1\n1.0\n-5.690332 5.980446 8.588684\n5.690332 -5.980446 8.588684\n5.690332 5.980446 -8.588684\nY Cd Ir\n2 1 1\ndirect\n0.000000 0.285298 0.285298 Y\n0.000000 0.714702 0.714702 Y\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Ir\n",
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{
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{
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"structure_string": "Cs2 La4 Cu2 Se8\n1.0\n2.172186 -7.589348 0.000000\n2.172186 7.589348 0.000000\n0.000000 0.000000 14.890663\nCs La Cu Se\n2 4 2 8\ndirect\n0.894648 0.105352 0.750000 Cs\n0.105352 0.894648 0.250000 Cs\n0.634631 0.365369 0.939039 La\n0.365369 0.634631 0.060961 La\n0.365369 0.634631 0.439039 La\n0.634631 0.365369 0.560961 La\n0.165365 0.834635 0.750000 Cu\n0.834635 0.165365 0.250000 Cu\n0.740961 0.259039 0.388038 Se\n0.259039 0.740961 0.611962 Se\n0.259039 0.740961 0.888038 Se\n0.740961 0.259039 0.111962 Se\n0.579513 0.420487 0.750000 Se\n0.420487 0.579513 0.250000 Se\n0.000000 0.000000 0.000000 Se\n0.000000 0.000000 0.500000 Se\n",
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{
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{
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},
{
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"structure_string": "Li3 Mn2 Co1 O6\n1.0\n1.435822 7.699693 0.000000\n-1.435822 7.699693 0.000000\n0.000000 1.470012 5.156164\nLi Mn Co O\n3 2 1 6\ndirect\n0.500000 0.500000 0.500000 Li\n0.834569 0.834569 0.834636 Li\n0.165431 0.165431 0.165364 Li\n0.334501 0.334501 0.317716 Mn\n0.665499 0.665499 0.682284 Mn\n0.000000 0.000000 0.000000 Co\n0.576337 0.576337 0.096225 O\n0.912536 0.912536 0.383269 O\n0.243441 0.243441 0.747381 O\n0.423663 0.423663 0.903775 O\n0.756559 0.756559 0.252619 O\n0.087464 0.087464 0.616731 O\n",
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],
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"density_atomic": 0.10525688547263179,
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"formula_full": "Li3 Mn2 Co1 O6",
"formula_reduced": "Li3Mn2CoO6",
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{
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"structure_string": "Sm2 Fe1 Ge4\n1.0\n0.000000 0.000000 4.223737\n4.267139 0.000000 0.000000\n2.133570 7.906234 0.000000\nSm Fe Ge\n2 1 4\ndirect\n0.250000 0.896834 0.206332 Sm\n0.750000 0.100623 0.798753 Sm\n0.250000 0.695633 0.608734 Fe\n0.250000 0.548287 0.903425 Ge\n0.750000 0.441829 0.116343 Ge\n0.250000 0.257118 0.485765 Ge\n0.750000 0.753676 0.492648 Ge\n",
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]
}