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{
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{
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"volume": 192.03837395728817,
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"formula_full": "Mn1 Cu6 O8",
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},
{
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"created_at": "2022-09-04T14:40:16.259817Z",
"structure_string": "Mg4 Ga2\n1.0\n1.511741 -7.844731 0.000000\n1.511741 7.844731 0.000000\n0.000000 0.000000 5.322921\nMg Ga\n4 2\ndirect\n0.619875 0.380125 0.250000 Mg\n0.940144 0.059856 0.250000 Mg\n0.059856 0.940144 0.750000 Mg\n0.380125 0.619875 0.750000 Mg\n0.276549 0.723451 0.250000 Ga\n0.723451 0.276549 0.750000 Ga\n",
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{
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"structure_string": "Al1 B1 N2\n1.0\n2.814396 0.000000 0.000000\n0.000000 2.814396 0.000000\n0.000000 0.000000 4.143204\nAl B N\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 B\n0.500000 0.000000 0.789951 N\n0.000000 0.500000 0.210049 N\n",
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"elements": [
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"density": 3.329718034442567,
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"formula_full": "Al1 B1 N2",
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{
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"created_at": "2022-09-04T14:40:16.274900Z",
"structure_string": "Li4 Si8 Ni2 O20\n1.0\n6.924426 0.000000 0.000000\n-3.360794 6.727634 0.000000\n-2.213796 -2.992455 8.892277\nLi Si Ni O\n4 8 2 20\ndirect\n0.384084 0.241532 0.043732 Li\n0.198386 0.689242 0.573184 Li\n0.801614 0.310758 0.426816 Li\n0.615916 0.758468 0.956268 Li\n0.249472 0.954616 0.194806 Si\n0.392182 0.641126 0.257877 Si\n0.809446 0.615673 0.242032 Si\n0.897917 0.277180 0.139685 Si\n0.102083 0.722820 0.860315 Si\n0.190554 0.384327 0.757968 Si\n0.607818 0.358874 0.742123 Si\n0.750528 0.045384 0.805194 Si\n0.253305 0.316858 0.426108 Ni\n0.746695 0.683142 0.573892 Ni\n0.228043 0.926412 0.014532 O\n0.993483 0.803184 0.197321 O\n0.141749 0.454967 0.133619 O\n0.417778 0.870704 0.267548 O\n0.574866 0.627637 0.178923 O\n0.730672 0.382976 0.125612 O\n0.435233 0.615426 0.422391 O\n0.353405 0.199133 0.267476 O\n0.069134 0.783825 0.710625 O\n0.110824 0.377188 0.586493 O\n0.889176 0.622812 0.413507 O\n0.930866 0.216175 0.289375 O\n0.646595 0.800867 0.732524 O\n0.564767 0.384574 0.577609 O\n0.269328 0.617024 0.874388 O\n0.425134 0.372363 0.821077 O\n0.582222 0.129296 0.732452 O\n0.858251 0.545033 0.866381 O\n0.006517 0.196816 0.802679 O\n0.771957 0.073588 0.985468 O\n",
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"formula_full": "Li4 Si8 Ni2 O20",
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{
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"structure_string": "Sc1 Co2 Ge1\n1.0\n-4.297064 4.959157 6.677854\n4.297064 -4.959157 6.677854\n4.297064 4.959157 -6.677854\nSc Co Ge\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.239859 0.239859 Co\n0.000000 0.760141 0.760141 Co\n0.000000 0.500000 0.500000 Ge\n",
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{
"id": "mp-16837",
"created_at": "2022-09-04T14:40:16.875578Z",
"structure_string": "Nb6 Ag2 O16\n1.0\n-3.572077 3.779880 5.235895\n3.572077 -3.779880 5.235895\n3.572077 3.779880 -5.235895\nNb Ag O\n6 2 16\ndirect\n0.009185 0.766848 0.242337 Nb\n0.990815 0.233152 0.757663 Nb\n0.475489 0.733152 0.742337 Nb\n0.524511 0.266848 0.257663 Nb\n0.500000 0.750000 0.250000 Nb\n0.500000 0.250000 0.750000 Nb\n0.000000 0.750000 0.750000 Ag\n0.000000 0.250000 0.250000 Ag\n0.833922 0.442354 0.992061 O\n0.166078 0.158139 0.608432 O\n0.549706 0.057646 0.891568 O\n0.450294 0.341861 0.507939 O\n0.166078 0.557646 0.007939 O\n0.833922 0.841861 0.391568 O\n0.450294 0.942354 0.108432 O\n0.549706 0.658139 0.492061 O\n0.152949 0.165974 0.986975 O\n0.847051 0.834026 0.013025 O\n0.821001 0.334026 0.486975 O\n0.178999 0.665974 0.513025 O\n0.532779 0.424780 0.107999 O\n0.467221 0.575220 0.892001 O\n0.683218 0.075220 0.607999 O\n0.316782 0.924780 0.392001 O\n",
"nsites": 24,
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{
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"structure_string": "Li6 Sn6 P8 O32\n1.0\n12.388922 0.000000 0.000000\n0.000000 6.456935 0.000000\n0.000000 2.094295 8.695392\nLi Sn P O\n6 6 8 32\ndirect\n0.577443 0.653709 0.090351 Li\n0.900977 0.160476 0.083465 Li\n0.212543 0.120820 0.342351 Li\n0.712543 0.879180 0.657649 Li\n0.077443 0.346291 0.909649 Li\n0.400977 0.839524 0.916535 Li\n0.929292 0.602461 0.264617 Sn\n0.585061 0.088040 0.282332 Sn\n0.312230 0.635708 0.322133 Sn\n0.812230 0.364292 0.677867 Sn\n0.429292 0.397539 0.735383 Sn\n0.085061 0.911960 0.717668 Sn\n0.367745 0.360659 0.088254 P\n0.125020 0.882143 0.079597 P\n0.597427 0.548664 0.415670 P\n0.908731 0.054032 0.401994 P\n0.097427 0.451336 0.584330 P\n0.408731 0.945968 0.598006 P\n0.867745 0.639341 0.911746 P\n0.625020 0.117857 0.920403 P\n0.429505 0.571330 0.069611 O\n0.828864 0.668481 0.074502 O\n0.050069 0.073125 0.051229 O\n0.683305 0.145893 0.069127 O\n0.064458 0.662176 0.141843 O\n0.266571 0.369232 0.188174 O\n0.438726 0.164092 0.164711 O\n0.623961 0.398593 0.306529 O\n0.908847 0.279088 0.279720 O\n0.209628 0.899695 0.204664 O\n0.883646 0.900959 0.290057 O\n0.568757 0.755029 0.291443 O\n0.192131 0.417083 0.483701 O\n0.494714 0.464792 0.513834 O\n0.317338 0.954425 0.483798 O\n0.994714 0.535208 0.486166 O\n0.023010 0.011409 0.470829 O\n0.692131 0.582917 0.516299 O\n0.523010 0.988591 0.529171 O\n0.817338 0.045575 0.516202 O\n0.408847 0.720912 0.720280 O\n0.123961 0.601407 0.693471 O\n0.766571 0.630768 0.811826 O\n0.068757 0.244971 0.708557 O\n0.383646 0.099041 0.709943 O\n0.564458 0.337824 0.858157 O\n0.709628 0.100305 0.795336 O\n0.938726 0.835908 0.835289 O\n0.328864 0.331519 0.925498 O\n0.929505 0.428670 0.930389 O\n0.183305 0.854107 0.930873 O\n0.550069 0.926875 0.948771 O\n",
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{
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{
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