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{
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{
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{
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"created_at": "2022-09-04T14:47:17.948456Z",
"structure_string": "Ca4 Sn8 S20\n1.0\n7.504292 0.000000 0.000000\n0.000000 9.531890 0.000000\n0.000000 0.000000 10.865114\nCa Sn S\n4 8 20\ndirect\n0.500000 0.370373 0.171505 Ca\n0.500000 0.629627 0.828495 Ca\n0.500000 0.870373 0.328495 Ca\n0.500000 0.129627 0.671505 Ca\n0.735859 0.500000 0.500000 Sn\n0.264141 0.000000 0.000000 Sn\n0.264141 0.500000 0.500000 Sn\n0.735859 0.000000 0.000000 Sn\n0.000000 0.605713 0.147727 Sn\n0.000000 0.394287 0.852273 Sn\n0.000000 0.105713 0.352273 Sn\n0.000000 0.894287 0.647727 Sn\n0.727082 0.385474 0.713615 S\n0.727082 0.614526 0.286385 S\n0.272918 0.885474 0.786385 S\n0.272918 0.114526 0.213615 S\n0.272918 0.614526 0.286385 S\n0.272918 0.385474 0.713615 S\n0.727082 0.114526 0.213615 S\n0.727082 0.885474 0.786385 S\n0.773253 0.500000 0.000000 S\n0.226747 0.000000 0.500000 S\n0.226747 0.500000 0.000000 S\n0.773253 0.000000 0.500000 S\n0.500000 0.320099 0.438234 S\n0.500000 0.679901 0.561766 S\n0.500000 0.820099 0.061766 S\n0.500000 0.179901 0.938234 S\n0.000000 0.859927 0.098796 S\n0.000000 0.140073 0.901204 S\n0.000000 0.359927 0.401204 S\n0.000000 0.640073 0.598796 S\n",
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{
"id": "mp-1104184",
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"spacegroup": 148
},
{
"id": "mp-1101917",
"created_at": "2022-09-04T14:40:35.125583Z",
"structure_string": "Sn1 Bi4 Te7\n1.0\n2.230275 -3.862949 0.000000\n2.230275 3.862949 0.000000\n0.000000 0.000000 24.572134\nSn Bi Te\n1 4 7\ndirect\n0.000000 0.000000 0.000000 Sn\n0.666667 0.333333 0.161521 Bi\n0.333333 0.666667 0.838479 Bi\n0.666667 0.333333 0.417957 Bi\n0.333333 0.666667 0.582043 Bi\n0.000000 0.000000 0.500000 Te\n0.666667 0.333333 0.923284 Te\n0.333333 0.666667 0.076716 Te\n0.000000 0.000000 0.768817 Te\n0.000000 0.000000 0.231183 Te\n0.666667 0.333333 0.651922 Te\n0.333333 0.666667 0.348078 Te\n",
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{
"id": "mp-770805",
"created_at": "2022-09-04T14:41:07.297983Z",
"structure_string": "Li12 Hf4 O14\n1.0\n6.047867 0.000000 0.000000\n0.000000 5.351986 0.000000\n0.000000 3.591034 9.709369\nLi Hf O\n12 4 14\ndirect\n0.785061 0.210830 0.143133 Li\n0.236405 0.215963 0.137407 Li\n0.497304 0.839771 0.124210 Li\n0.997304 0.160229 0.375790 Li\n0.736405 0.784037 0.362593 Li\n0.285061 0.789170 0.356867 Li\n0.714939 0.210830 0.643133 Li\n0.263595 0.215963 0.637407 Li\n0.002696 0.839771 0.624210 Li\n0.502696 0.160229 0.875790 Li\n0.763595 0.784037 0.862593 Li\n0.214939 0.789170 0.856867 Li\n0.008733 0.729921 0.133834 Hf\n0.508733 0.270079 0.366166 Hf\n0.491267 0.729921 0.633834 Hf\n0.991267 0.270079 0.866166 Hf\n0.000000 0.500000 0.000000 O\n0.767966 0.988741 0.004147 O\n0.510562 0.045311 0.244598 O\n0.281974 0.521189 0.236363 O\n0.781974 0.478811 0.263637 O\n0.010562 0.954689 0.255402 O\n0.267966 0.011259 0.495853 O\n0.500000 0.500000 0.500000 O\n0.732034 0.988741 0.504147 O\n0.989438 0.045311 0.744598 O\n0.218026 0.521189 0.736363 O\n0.718026 0.478811 0.763637 O\n0.489438 0.954689 0.755402 O\n0.232034 0.011259 0.995853 O\n",
"nsites": 30,
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"formula_full": "Li12 Hf4 O14",
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{
"id": "mp-1198041",
"created_at": "2022-09-04T14:43:46.762424Z",
"structure_string": "H6 Os8 C24 I2 O24\n1.0\n4.106247 8.837677 0.000000\n-4.106247 8.837677 0.000000\n0.000000 8.640679 15.763599\nH Os C I O\n6 8 24 2 24\ndirect\n0.216222 0.546507 0.338608 H\n0.453493 0.783778 0.161392 H\n0.783778 0.453493 0.661392 H\n0.546507 0.216222 0.838608 H\n0.615428 0.384572 0.250000 H\n0.384572 0.615428 0.750000 H\n0.319417 0.768676 0.126741 Os\n0.231324 0.680583 0.373259 Os\n0.680583 0.231324 0.873259 Os\n0.768676 0.319417 0.626741 Os\n0.405012 0.420930 0.255596 Os\n0.579070 0.594988 0.244404 Os\n0.594988 0.579070 0.744404 Os\n0.420930 0.405012 0.755596 Os\n0.283191 0.995696 0.050063 C\n0.004304 0.716809 0.449937 C\n0.716809 0.004304 0.949937 C\n0.995696 0.283191 0.550063 C\n0.147432 0.777129 0.096641 C\n0.222871 0.852568 0.403359 C\n0.852568 0.222871 0.903359 C\n0.777129 0.147432 0.596641 C\n0.522823 0.631062 0.047724 C\n0.368938 0.477177 0.452276 C\n0.477177 0.368938 0.952276 C\n0.631062 0.522823 0.547724 C\n0.482517 0.199002 0.343971 C\n0.800998 0.517483 0.156029 C\n0.517483 0.800998 0.656029 C\n0.199002 0.482517 0.843971 C\n0.199525 0.445115 0.249680 C\n0.554885 0.800475 0.250320 C\n0.800475 0.554885 0.750320 C\n0.445115 0.199525 0.749680 C\n0.561521 0.287598 0.168518 C\n0.712402 0.438479 0.331482 C\n0.438479 0.712402 0.831482 C\n0.287598 0.561521 0.668518 C\n0.035936 0.964064 0.250000 I\n0.964064 0.035936 0.750000 I\n0.269212 0.127869 0.000551 O\n0.872131 0.730788 0.499449 O\n0.730788 0.872131 0.999449 O\n0.127869 0.269212 0.500551 O\n0.036937 0.790695 0.079287 O\n0.209305 0.963063 0.420713 O\n0.963063 0.209305 0.920713 O\n0.790695 0.036937 0.579287 O\n0.649142 0.553214 0.996435 O\n0.446786 0.350858 0.503565 O\n0.350858 0.446786 0.003565 O\n0.553214 0.649142 0.496435 O\n0.534774 0.060518 0.394048 O\n0.939482 0.465226 0.105952 O\n0.465226 0.939482 0.605952 O\n0.060518 0.534774 0.894048 O\n0.073671 0.458609 0.247542 O\n0.541391 0.926329 0.252458 O\n0.926329 0.541391 0.752458 O\n0.458609 0.073671 0.747542 O\n0.659704 0.200787 0.117041 O\n0.799213 0.340296 0.382959 O\n0.340296 0.799213 0.882959 O\n0.200787 0.659704 0.617041 O\n",
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{
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"structure_string": "Hg6 Te4 Br4\n1.0\n-4.959805 4.959805 4.959805\n4.959805 -4.959805 4.959805\n4.959805 4.959805 -4.959805\nHg Te Br\n6 4 4\ndirect\n0.936108 0.186108 0.750000 Hg\n0.250000 0.563893 0.313892 Hg\n0.313893 0.250000 0.563892 Hg\n0.750000 0.936108 0.186107 Hg\n0.186107 0.750000 0.936107 Hg\n0.563893 0.313893 0.250000 Hg\n0.500000 0.000000 0.955581 Te\n0.000000 0.955581 0.500000 Te\n0.544419 0.544419 0.544419 Te\n0.955581 0.500000 0.000000 Te\n0.500000 0.000000 0.490298 Br\n0.000000 0.490298 0.500000 Br\n0.490298 0.500000 0.000000 Br\n0.009702 0.009702 0.009702 Br\n",
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{
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{
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"structure_string": "Mg12 O12\n1.0\n4.834060 -8.372837 0.000000\n4.834060 8.372837 0.000000\n0.000000 0.000000 4.188409\nMg O\n12 12\ndirect\n0.122431 0.668398 0.000000 Mg\n0.331602 0.454033 0.000000 Mg\n0.545967 0.877569 0.000000 Mg\n0.668398 0.122431 0.500000 Mg\n0.454033 0.331602 0.500000 Mg\n0.877569 0.545967 0.500000 Mg\n0.877569 0.331602 0.000000 Mg\n0.668398 0.545967 0.000000 Mg\n0.454033 0.122431 0.000000 Mg\n0.331602 0.877569 0.500000 Mg\n0.545967 0.668398 0.500000 Mg\n0.122431 0.454033 0.500000 Mg\n0.122488 0.671149 0.500000 O\n0.328851 0.451338 0.500000 O\n0.548662 0.877512 0.500000 O\n0.671149 0.122488 0.000000 O\n0.451338 0.328851 0.000000 O\n0.877512 0.548662 0.000000 O\n0.877512 0.328851 0.500000 O\n0.671149 0.548662 0.500000 O\n0.451338 0.122488 0.500000 O\n0.328851 0.877512 0.000000 O\n0.548662 0.671149 0.000000 O\n0.122488 0.451338 0.000000 O\n",
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{
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}