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{
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{
"id": "mp-1045659",
"created_at": "2022-09-04T14:40:19.911108Z",
"structure_string": "Zn2 Cu9 O13\n1.0\n1.467811 4.915502 0.000000\n-1.467811 4.915502 0.000000\n0.000000 2.360664 16.179921\nZn Cu O\n2 9 13\ndirect\n0.785924 0.785924 0.227305 Zn\n0.214076 0.214076 0.772695 Zn\n0.500000 0.500000 0.500000 Cu\n0.356538 0.356538 0.041186 Cu\n0.643462 0.643462 0.958814 Cu\n0.251681 0.251681 0.418520 Cu\n0.748319 0.748319 0.581480 Cu\n0.067841 0.067841 0.122829 Cu\n0.932159 0.932159 0.877171 Cu\n0.009077 0.009077 0.332448 Cu\n0.990923 0.990923 0.667552 Cu\n0.000000 0.000000 0.000000 O\n0.144592 0.144592 0.226902 O\n0.855408 0.855408 0.773099 O\n0.701452 0.701452 0.070353 O\n0.298548 0.298548 0.929647 O\n0.420367 0.420367 0.145828 O\n0.579633 0.579633 0.854172 O\n0.374292 0.374292 0.315920 O\n0.625708 0.625708 0.684080 O\n0.609027 0.609027 0.387842 O\n0.390973 0.390973 0.612158 O\n0.869126 0.869126 0.470346 O\n0.130874 0.130874 0.529654 O\n",
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"volume": 233.47716306769874,
"volume_molar": 5.858468084329814,
"formula_full": "Zn2 Cu9 O13",
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"updated_at": "2021-11-28T01:34:54.493000Z",
"spacegroup": 12
},
{
"id": "mp-1245779",
"created_at": "2022-09-04T14:42:12.963849Z",
"structure_string": "Hf2 Fe2 N4\n1.0\n3.102183 0.000000 0.000000\n-1.551091 2.686571 0.000000\n0.000000 0.000000 9.338076\nHf Fe N\n2 2 4\ndirect\n0.666661 0.333322 0.250000 Hf\n0.333339 0.666678 0.750000 Hf\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.666669 0.333337 0.893066 N\n0.333331 0.666663 0.106934 N\n0.333331 0.666663 0.393066 N\n0.666669 0.333337 0.606934 N\n",
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"elements": [
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"Fe",
"N"
],
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"formula_full": "Hf2 Fe2 N4",
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{
"id": "mp-531604",
"created_at": "2022-09-04T14:46:20.129284Z",
"structure_string": "Li20 Mn20 O40\n1.0\n2.880746 23.620565 0.000000\n-2.880746 23.620565 0.000000\n0.000000 0.701741 5.718633\nLi Mn O\n20 20 40\ndirect\n0.200095 0.200095 0.793950 Li\n0.402630 0.898584 0.597192 Li\n0.898584 0.402630 0.597192 Li\n0.601029 0.601029 0.392756 Li\n0.200238 0.200238 0.301741 Li\n0.800887 0.302583 0.192068 Li\n0.302583 0.800887 0.192068 Li\n0.005666 0.494135 0.996316 Li\n0.601239 0.601239 0.897667 Li\n0.203322 0.698101 0.789536 Li\n0.698101 0.203322 0.789536 Li\n0.000328 0.000328 0.985111 Li\n0.003164 0.003164 0.487211 Li\n0.605829 0.095056 0.390724 Li\n0.095056 0.605829 0.390724 Li\n0.399877 0.399877 0.585280 Li\n0.400783 0.400783 0.092406 Li\n0.799350 0.799350 0.187569 Li\n0.801884 0.801884 0.691994 Li\n0.494135 0.005666 0.996316 Li\n0.702046 0.702046 0.795245 Mn\n0.102490 0.102490 0.393792 Mn\n0.701960 0.701960 0.296042 Mn\n0.401065 0.903325 0.095474 Mn\n0.903325 0.401065 0.095474 Mn\n0.502721 0.502721 0.989641 Mn\n0.102414 0.102414 0.894000 Mn\n0.300364 0.804910 0.692100 Mn\n0.804910 0.300364 0.692100 Mn\n0.902376 0.902376 0.587924 Mn\n0.502573 0.502573 0.489912 Mn\n0.701641 0.203378 0.288891 Mn\n0.203378 0.701641 0.288891 Mn\n0.302019 0.302019 0.191719 Mn\n0.902229 0.902229 0.088668 Mn\n0.103670 0.600570 0.890100 Mn\n0.600570 0.103670 0.890100 Mn\n0.301914 0.301914 0.692394 Mn\n0.503058 0.000841 0.494788 Mn\n0.000841 0.503058 0.494788 Mn\n0.752044 0.752044 0.725611 O\n0.471035 0.933752 0.545202 O\n0.933752 0.471035 0.545202 O\n0.152692 0.152692 0.326198 O\n0.652580 0.652580 0.326352 O\n0.752351 0.752351 0.262793 O\n0.869455 0.336196 0.143714 O\n0.336196 0.869455 0.143714 O\n0.471119 0.933738 0.045331 O\n0.933738 0.471119 0.045331 O\n0.553253 0.553253 0.922710 O\n0.053435 0.053435 0.922259 O\n0.152746 0.152746 0.863739 O\n0.652513 0.652513 0.864003 O\n0.270370 0.736481 0.738908 O\n0.736481 0.270370 0.738908 O\n0.869716 0.336377 0.643178 O\n0.336377 0.869716 0.643178 O\n0.952400 0.952400 0.519862 O\n0.453319 0.453319 0.519304 O\n0.553284 0.553284 0.460050 O\n0.052879 0.052879 0.460253 O\n0.671959 0.133637 0.337745 O\n0.133637 0.671959 0.337745 O\n0.269949 0.736200 0.239153 O\n0.736200 0.269949 0.239153 O\n0.352541 0.352541 0.120970 O\n0.852940 0.852940 0.120279 O\n0.952951 0.952951 0.056732 O\n0.453162 0.453162 0.056799 O\n0.073489 0.531812 0.941348 O\n0.531812 0.073489 0.941348 O\n0.671901 0.133252 0.837879 O\n0.133252 0.671901 0.837879 O\n0.252495 0.252495 0.725428 O\n0.352527 0.352527 0.658204 O\n0.852239 0.852239 0.658377 O\n0.073082 0.531677 0.441538 O\n0.531677 0.073082 0.441538 O\n0.252452 0.252452 0.262918 O\n",
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"spacegroup": 8
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{
"id": "mp-530146",
"created_at": "2022-09-04T14:48:19.928361Z",
"structure_string": "Mg12 Al24 O48\n1.0\n2.885372 -4.997611 0.000000\n2.885372 4.997611 0.000000\n0.000000 0.000000 28.334062\nMg Al O\n12 24 48\ndirect\n0.333333 0.666667 0.977107 Mg\n0.666667 0.333333 0.999149 Mg\n0.666667 0.333333 0.810473 Mg\n0.000000 0.000000 0.832113 Mg\n0.000000 0.000000 0.645031 Mg\n0.333333 0.666667 0.479478 Mg\n0.666667 0.333333 0.688977 Mg\n0.666667 0.333333 0.312911 Mg\n0.000000 0.000000 0.520875 Mg\n0.000000 0.000000 0.145921 Mg\n0.333333 0.666667 0.354392 Mg\n0.666667 0.333333 0.186955 Mg\n0.828465 0.656931 0.917018 Al\n0.828465 0.171535 0.917018 Al\n0.164119 0.328237 0.749567 Al\n0.343069 0.171535 0.917018 Al\n0.164119 0.835881 0.749567 Al\n0.333333 0.666667 0.857105 Al\n0.333333 0.666667 0.666495 Al\n0.500053 0.000106 0.583496 Al\n0.671763 0.835881 0.749567 Al\n0.500053 0.499947 0.583496 Al\n0.666667 0.333333 0.500148 Al\n0.833185 0.666369 0.416840 Al\n0.999894 0.499947 0.583496 Al\n0.833185 0.166815 0.416840 Al\n0.667402 0.833701 0.250282 Al\n0.000000 0.000000 0.333764 Al\n0.166299 0.332598 0.250282 Al\n0.333631 0.166815 0.416840 Al\n0.166299 0.833701 0.250282 Al\n0.005352 0.502676 0.083756 Al\n0.333333 0.666667 0.167643 Al\n0.497324 0.994648 0.083756 Al\n0.497324 0.502676 0.083756 Al\n0.000000 0.000000 0.021553 Al\n0.513818 0.486182 0.953305 O\n0.666667 0.333333 0.880036 O\n0.513818 0.027636 0.953305 O\n0.972364 0.486182 0.953305 O\n0.846396 0.153604 0.785381 O\n0.680325 0.840163 0.879130 O\n0.000000 0.000000 0.955945 O\n0.159837 0.319675 0.879130 O\n0.000000 0.000000 0.713465 O\n0.846396 0.692792 0.785381 O\n0.159837 0.840163 0.879130 O\n0.307208 0.153604 0.785381 O\n0.184991 0.815009 0.622731 O\n0.041763 0.520882 0.711244 O\n0.479118 0.958237 0.711244 O\n0.333333 0.666667 0.791876 O\n0.333333 0.666667 0.548537 O\n0.184991 0.369983 0.622731 O\n0.479118 0.520882 0.711244 O\n0.630017 0.815009 0.622731 O\n0.517968 0.482032 0.455959 O\n0.369789 0.184895 0.544003 O\n0.815105 0.630211 0.544003 O\n0.517968 0.035937 0.455959 O\n0.666667 0.333333 0.618901 O\n0.666667 0.333333 0.381801 O\n0.815105 0.184895 0.544003 O\n0.964063 0.482032 0.455959 O\n0.851342 0.148658 0.289151 O\n0.703084 0.851542 0.377028 O\n0.000000 0.000000 0.214940 O\n0.148458 0.296916 0.377028 O\n0.000000 0.000000 0.451406 O\n0.851342 0.702683 0.289151 O\n0.148458 0.851542 0.377028 O\n0.297317 0.148658 0.289151 O\n0.185759 0.814241 0.123302 O\n0.035548 0.517774 0.210379 O\n0.482226 0.964452 0.210379 O\n0.333333 0.666667 0.284620 O\n0.333333 0.666667 0.048052 O\n0.185759 0.371518 0.123302 O\n0.482226 0.517774 0.210379 O\n0.628482 0.814241 0.123302 O\n0.339020 0.169510 0.045589 O\n0.830490 0.660980 0.045589 O\n0.666667 0.333333 0.115849 O\n0.830490 0.169510 0.045589 O\n",
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{
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"structure_string": "Lu8 Co2 B26\n1.0\n7.203177 0.000000 0.000000\n0.000000 7.203177 0.000000\n0.000000 0.000000 6.749495\nLu Co B\n8 2 26\ndirect\n0.185127 0.318384 0.000000 Lu\n0.314873 0.818384 0.500000 Lu\n0.685127 0.181616 0.500000 Lu\n0.814873 0.681616 0.000000 Lu\n0.318384 0.814873 0.000000 Lu\n0.681616 0.185127 0.000000 Lu\n0.181616 0.314873 0.500000 Lu\n0.818384 0.685127 0.500000 Lu\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.671207 0.461052 0.245530 B\n0.410047 0.089953 0.250000 B\n0.828793 0.961052 0.745530 B\n0.461052 0.328793 0.754470 B\n0.538948 0.671207 0.245530 B\n0.910047 0.410047 0.750000 B\n0.828793 0.961052 0.254470 B\n0.961052 0.171207 0.254470 B\n0.589953 0.910047 0.250000 B\n0.038948 0.828793 0.254470 B\n0.038948 0.828793 0.745530 B\n0.328793 0.538948 0.245530 B\n0.089953 0.589953 0.750000 B\n0.961052 0.171207 0.745530 B\n0.089953 0.589953 0.250000 B\n0.500000 0.500000 0.000000 B\n0.410047 0.089953 0.750000 B\n0.589953 0.910047 0.750000 B\n0.910047 0.410047 0.250000 B\n0.328793 0.538948 0.754470 B\n0.671207 0.461052 0.754470 B\n0.461052 0.328793 0.245530 B\n0.171207 0.038948 0.254470 B\n0.171207 0.038948 0.745530 B\n0.538948 0.671207 0.754470 B\n0.000000 0.000000 0.500000 B\n",
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{
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