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{
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{
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"structure_string": "Mg14 Nb1 Zn1 O16\n1.0\n8.629253 0.000000 -0.000000\n0.000000 8.630817 0.000000\n0.000000 0.000000 4.284837\nMg Nb Zn O\n14 1 1 16\ndirect\n0.500000 0.000000 -0.000000 Mg\n0.500000 0.500000 -0.000000 Mg\n-0.000000 0.244448 0.500000 Mg\n-0.000000 0.755552 0.500000 Mg\n0.500000 0.249415 0.500000 Mg\n0.500000 0.750585 0.500000 Mg\n0.250455 0.000000 0.500000 Mg\n0.254621 0.500000 0.500000 Mg\n0.749545 0.000000 0.500000 Mg\n0.745379 0.500000 0.500000 Mg\n0.252270 0.247845 -0.000000 Mg\n0.252270 0.752155 -0.000000 Mg\n0.747730 0.247845 0.000000 Mg\n0.747730 0.752155 0.000000 Mg\n-0.000000 0.500000 -0.000000 Nb\n-0.000000 0.000000 -0.000000 Zn\n0.255842 0.000000 -0.000000 O\n0.262248 0.500000 0.000000 O\n0.744158 0.000000 0.000000 O\n0.737752 0.500000 -0.000000 O\n0.248598 0.250464 0.500000 O\n0.248598 0.749536 0.500000 O\n0.751402 0.250464 0.500000 O\n0.751402 0.749536 0.500000 O\n-0.000000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n-0.000000 0.241776 -0.000000 O\n-0.000000 0.758224 0.000000 O\n0.500000 0.249109 0.000000 O\n0.500000 0.750891 -0.000000 O\n",
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"formula_full": "Mg14 Nb1 Zn1 O16",
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{
"id": "mp-553950",
"created_at": "2022-09-04T14:45:39.662184Z",
"structure_string": "Li20 Si4 Pb2 O20\n1.0\n3.056877 15.033727 0.000000\n-3.056877 15.033727 0.000000\n0.000000 0.870544 5.101701\nLi Si Pb O\n20 4 2 20\ndirect\n0.086635 0.649728 0.033713 Li\n0.951890 0.437791 0.210907 Li\n0.649728 0.086635 0.033713 Li\n0.730618 0.730618 0.863615 Li\n0.778483 0.350830 0.770173 Li\n0.269382 0.269382 0.136385 Li\n0.913365 0.350272 0.966287 Li\n0.867844 0.867844 0.486001 Li\n0.437791 0.951890 0.210907 Li\n0.132156 0.132156 0.513999 Li\n0.675697 0.675697 0.576938 Li\n0.350830 0.778483 0.770173 Li\n0.507770 0.507770 0.240256 Li\n0.048110 0.562209 0.789093 Li\n0.324303 0.324303 0.423062 Li\n0.221517 0.649170 0.229827 Li\n0.649170 0.221517 0.229827 Li\n0.492230 0.492230 0.759744 Li\n0.350272 0.913365 0.966287 Li\n0.562209 0.048110 0.789093 Li\n0.399534 0.399534 0.694642 Si\n0.600466 0.600466 0.305358 Si\n0.219105 0.219105 0.690698 Si\n0.780895 0.780895 0.309302 Si\n0.961406 0.961406 0.788888 Pb\n0.038594 0.038594 0.211112 Pb\n0.449529 0.449529 0.502840 O\n0.419761 0.968029 0.828665 O\n0.727723 0.727723 0.263800 O\n0.404760 0.404760 0.009506 O\n0.748171 0.251829 0.000000 O\n0.968029 0.419761 0.828665 O\n0.251829 0.748171 0.000000 O\n0.550471 0.550471 0.497160 O\n0.786496 0.786496 0.619896 O\n0.588603 0.152297 0.640772 O\n0.847703 0.411397 0.359228 O\n0.031971 0.580239 0.171335 O\n0.152297 0.588603 0.640772 O\n0.213504 0.213504 0.380104 O\n0.411397 0.847703 0.359228 O\n0.272277 0.272277 0.736200 O\n0.907887 0.907887 0.143050 O\n0.580239 0.031971 0.171335 O\n0.595240 0.595240 0.990494 O\n0.092113 0.092113 0.856950 O\n",
"nsites": 46,
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"elements": [
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"Si",
"Pb",
"O"
],
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"density": 3.490102149985163,
"density_atomic": 0.09809981993583486,
"volume": 468.9101369410024,
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"formula_full": "Li20 Si4 Pb2 O20",
"formula_reduced": "Li10Si2PbO10",
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},
{
"id": "mp-1324685",
"created_at": "2022-09-04T14:45:39.683275Z",
"structure_string": "Y10 Mn6 Ni6 O36\n1.0\n5.516173 0.000000 0.000000\n0.000000 7.483117 0.000000\n0.000000 7.495450 15.848416\nY Mn Ni O\n10 6 6 36\ndirect\n0.813378 0.748294 0.504650 Y\n0.815667 0.079187 0.170977 Y\n0.320076 0.255101 0.991512 Y\n0.315423 0.586781 0.663618 Y\n0.323939 0.924212 0.327311 Y\n0.676061 0.924212 0.827311 Y\n0.679924 0.255101 0.491512 Y\n0.684577 0.586781 0.163618 Y\n0.184333 0.079187 0.670977 Y\n0.186622 0.748294 0.004650 Y\n0.230490 0.178572 0.831796 Mn\n0.243532 0.499714 0.496066 Mn\n0.246622 0.824491 0.170421 Mn\n0.756468 0.499714 0.996066 Mn\n0.753378 0.824491 0.670421 Mn\n0.769510 0.178572 0.331796 Mn\n0.230681 0.660960 0.833957 Ni\n0.248068 0.006598 0.496550 Ni\n0.250319 0.334565 0.167486 Ni\n0.751932 0.006598 0.996550 Ni\n0.749681 0.334565 0.667486 Ni\n0.769319 0.660960 0.333957 Ni\n0.066178 0.095453 0.937466 O\n0.057763 0.452479 0.598744 O\n0.052688 0.808452 0.260943 O\n0.554344 0.552158 0.905014 O\n0.549328 0.878146 0.570739 O\n0.562263 0.219943 0.234093 O\n0.437737 0.219943 0.734093 O\n0.445656 0.552158 0.405014 O\n0.450672 0.878146 0.070739 O\n0.947312 0.808452 0.760943 O\n0.933822 0.095453 0.437466 O\n0.942237 0.452479 0.098744 O\n0.070186 0.521869 0.944367 O\n0.041953 0.843952 0.604466 O\n0.038237 0.170779 0.264448 O\n0.513379 0.131697 0.900001 O\n0.538462 0.489398 0.564222 O\n0.550467 0.818759 0.232161 O\n0.449533 0.818759 0.732161 O\n0.486621 0.131697 0.400001 O\n0.461538 0.489398 0.064222 O\n0.961763 0.170779 0.764448 O\n0.929814 0.521869 0.444367 O\n0.958047 0.843952 0.104466 O\n0.779742 0.780428 0.965170 O\n0.773182 0.114461 0.631329 O\n0.785711 0.448231 0.300789 O\n0.273298 0.882526 0.863819 O\n0.277686 0.221408 0.532311 O\n0.279620 0.559808 0.195873 O\n0.720380 0.559808 0.695873 O\n0.726702 0.882526 0.363819 O\n0.722314 0.221408 0.032311 O\n0.214289 0.448231 0.800789 O\n0.220258 0.780428 0.465170 O\n0.226818 0.114461 0.131329 O\n",
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"volume": 654.1935774091352,
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"formula_full": "Y10 Mn6 Ni6 O36",
"formula_reduced": "Y5Mn3(NiO6)3",
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"spacegroup": 7
},
{
"id": "mp-556301",
"created_at": "2022-09-04T14:45:39.734649Z",
"structure_string": "Li12 Ca2 Ce2 O12\n1.0\n2.933634 -5.081203 0.000000\n2.933634 5.081203 0.000000\n0.000000 0.000000 10.742528\nLi Ca Ce O\n12 2 2 12\ndirect\n0.690124 0.631399 0.564835 Li\n0.368601 0.058725 0.564835 Li\n0.368601 0.309876 0.935165 Li\n0.309876 0.368601 0.435165 Li\n0.690124 0.058725 0.935165 Li\n0.631399 0.941275 0.435165 Li\n0.941275 0.631399 0.935165 Li\n0.058725 0.368601 0.064835 Li\n0.309876 0.941275 0.064835 Li\n0.631399 0.690124 0.064835 Li\n0.941275 0.309876 0.564835 Li\n0.058725 0.690124 0.435165 Li\n0.000000 0.000000 0.250000 Ca\n0.000000 0.000000 0.750000 Ca\n0.666667 0.333333 0.250000 Ce\n0.333333 0.666667 0.750000 Ce\n0.696896 0.652991 0.380572 O\n0.347009 0.043905 0.380572 O\n0.043905 0.347009 0.880572 O\n0.696896 0.043905 0.119428 O\n0.303104 0.347009 0.619428 O\n0.956095 0.652991 0.119428 O\n0.347009 0.303104 0.119428 O\n0.652991 0.956095 0.619428 O\n0.652991 0.696896 0.880572 O\n0.303104 0.956095 0.880572 O\n0.043905 0.696896 0.619428 O\n0.956095 0.303104 0.380572 O\n",
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],
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"formula_full": "Li12 Ca2 Ce2 O12",
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{
"id": "mp-1210397",
"created_at": "2022-09-04T14:45:39.734353Z",
"structure_string": "Na3 Mg4 Mo6 O24\n1.0\n7.106106 0.000000 0.000000\n-2.063333 8.568421 0.000000\n-2.731648 -3.800505 9.354486\nNa Mg Mo O\n3 4 6 24\ndirect\n0.285944 0.291590 0.801224 Na\n0.714056 0.708410 0.198776 Na\n0.000000 0.500000 0.500000 Na\n0.042538 0.199575 0.017216 Mg\n0.957462 0.800425 0.982784 Mg\n0.624163 0.043760 0.397398 Mg\n0.375837 0.956240 0.602602 Mg\n0.594165 0.256986 0.130753 Mo\n0.405835 0.743014 0.869247 Mo\n0.117487 0.094542 0.333881 Mo\n0.882513 0.905458 0.666119 Mo\n0.215085 0.664074 0.261067 Mo\n0.784915 0.335926 0.738933 Mo\n0.175272 0.309544 0.422539 O\n0.824728 0.690456 0.577461 O\n0.162716 0.445181 0.170795 O\n0.837284 0.554819 0.829205 O\n0.565756 0.147059 0.248010 O\n0.434244 0.852941 0.751990 O\n0.535846 0.219235 0.731900 O\n0.464154 0.780765 0.268100 O\n0.077997 0.056828 0.146042 O\n0.922003 0.943172 0.853958 O\n0.120942 0.005597 0.647946 O\n0.879058 0.994403 0.352054 O\n0.732563 0.473110 0.240820 O\n0.267437 0.526890 0.759180 O\n0.346125 0.236464 0.010725 O\n0.653875 0.763536 0.989275 O\n0.329941 0.030554 0.421894 O\n0.670059 0.969446 0.578106 O\n0.216662 0.708965 0.441017 O\n0.783338 0.291035 0.558983 O\n0.753781 0.188373 0.034036 O\n0.246219 0.811627 0.965964 O\n0.022995 0.730646 0.160095 O\n0.977005 0.269354 0.839905 O\n",
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{
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"structure_string": "Cs2 Y2 Cd2 Se6\n1.0\n2.154179 -8.190787 0.000000\n2.154179 8.190787 0.000000\n0.000000 0.000000 11.228435\nCs Y Cd Se\n2 2 2 6\ndirect\n0.744184 0.255816 0.250000 Cs\n0.255816 0.744184 0.750000 Cs\n0.000000 0.000000 0.500000 Y\n0.000000 0.000000 0.000000 Y\n0.460575 0.539425 0.250000 Cd\n0.539425 0.460575 0.750000 Cd\n0.060426 0.939574 0.250000 Se\n0.939574 0.060426 0.750000 Se\n0.616841 0.383159 0.545332 Se\n0.616841 0.383159 0.954668 Se\n0.383159 0.616841 0.045332 Se\n0.383159 0.616841 0.454668 Se\n",
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"formula_full": "Cs2 Y2 Cd2 Se6",
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{
"id": "mp-1304535",
"created_at": "2022-09-04T14:45:39.814293Z",
"structure_string": "Ca2 V8 Co6 O24\n1.0\n-3.733188 -3.763733 3.738520\n-3.697252 3.759191 -3.707073\n0.027636 -7.495267 -7.418292\nCa V Co O\n2 8 6 24\ndirect\n0.000023 0.999969 0.000007 Ca\n0.500025 0.500014 0.500001 Ca\n0.749022 0.750858 0.250028 V\n0.250996 0.249127 0.749951 V\n0.499880 0.999935 0.999978 V\n0.000144 0.500145 0.499996 V\n0.000007 0.500066 0.999957 V\n0.500112 0.999929 0.499983 V\n0.248243 0.248465 0.251671 V\n0.751721 0.751565 0.748369 V\n0.751880 0.248632 0.250786 Co\n0.247997 0.751465 0.749101 Co\n0.000006 0.000085 0.500061 Co\n0.252463 0.749039 0.249655 Co\n0.747559 0.250969 0.750352 Co\n0.499979 0.499940 0.999977 Co\n0.034335 0.337879 0.152853 O\n0.531465 0.835434 0.652080 O\n0.468483 0.164452 0.347780 O\n0.965745 0.662177 0.847240 O\n0.661398 0.965314 0.152573 O\n0.155656 0.464943 0.646054 O\n0.844338 0.534916 0.353883 O\n0.338429 0.034735 0.847529 O\n0.394134 0.204033 0.086967 O\n0.893465 0.712260 0.590566 O\n0.106934 0.287800 0.409581 O\n0.605555 0.795904 0.912942 O\n0.709764 0.885108 0.404273 O\n0.210903 0.388347 0.904146 O\n0.789072 0.611724 0.095753 O\n0.290320 0.114801 0.595822 O\n0.063480 0.945798 0.239733 O\n0.560735 0.449358 0.742008 O\n0.439421 0.550699 0.258075 O\n0.936304 0.054114 0.760251 O\n0.233095 0.752833 0.056647 O\n0.731761 0.252792 0.556887 O\n0.268198 0.747361 0.443064 O\n0.766957 0.247014 0.943421 O\n",
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},
{
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