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{
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{
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"structure_string": "Ca1 Fe2 Si4 O12\n1.0\n4.461243 4.885879 0.000000\n-4.461243 4.885879 0.000000\n0.000000 1.574924 5.102472\nCa Fe Si O\n1 2 4 12\ndirect\n0.304077 0.695923 0.500000 Ca\n0.091707 0.908293 0.000000 Fe\n0.888773 0.111227 0.500000 Fe\n0.799094 0.618253 0.486162 Si\n0.621462 0.798306 0.977915 Si\n0.201694 0.378538 0.022085 Si\n0.381747 0.200906 0.513838 Si\n0.044086 0.186973 0.118451 O\n0.610152 0.095831 0.458337 O\n0.198367 0.029963 0.609356 O\n0.655235 0.645955 0.261101 O\n0.904169 0.389848 0.541663 O\n0.813027 0.955914 0.881549 O\n0.383625 0.885809 0.060985 O\n0.114191 0.616375 0.939015 O\n0.628263 0.664956 0.747384 O\n0.354045 0.344765 0.738899 O\n0.970037 0.801633 0.390644 O\n0.335044 0.371737 0.252616 O\n",
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"formula_full": "Ca1 Fe2 Si4 O12",
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},
{
"id": "mp-1367958",
"created_at": "2022-09-04T14:46:28.427580Z",
"structure_string": "Ca4 Ta2 W2 O12\n1.0\n5.750361 0.000000 0.000000\n0.000000 5.572144 0.000000\n0.000000 5.574897 7.994859\nCa Ta W O\n4 2 2 12\ndirect\n0.051169 0.260864 0.751706 Ca\n0.551169 0.739136 0.748294 Ca\n0.948831 0.739136 0.248294 Ca\n0.448831 0.260864 0.251706 Ca\n0.000000 0.500000 0.000000 Ta\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.500000 W\n0.500000 0.000000 0.000000 W\n0.308860 0.740209 0.551101 O\n0.808860 0.259791 0.948899 O\n0.691140 0.259791 0.448899 O\n0.191140 0.740209 0.051101 O\n0.211516 0.369937 0.442923 O\n0.711516 0.630063 0.057077 O\n0.788484 0.630063 0.557077 O\n0.288484 0.369937 0.942923 O\n0.462924 0.157614 0.739642 O\n0.962924 0.842386 0.760358 O\n0.037076 0.157614 0.239642 O\n0.537076 0.842386 0.260358 O\n",
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},
{
"id": "mp-1208472",
"created_at": "2022-09-04T14:46:28.520113Z",
"structure_string": "Tb3 Co6 Sn5\n1.0\n-4.316603 0.000000 0.000000\n-2.158302 -4.815253 6.161857\n-2.158302 4.815253 6.161857\nTb Co Sn\n3 6 5\ndirect\n0.000000 0.000000 0.000000 Tb\n0.682756 0.317244 0.317244 Tb\n0.317244 0.682756 0.682756 Tb\n0.500000 0.303212 0.696788 Co\n0.500000 0.696788 0.303212 Co\n0.892737 0.833529 0.380997 Co\n0.107263 0.166471 0.619003 Co\n0.892737 0.380997 0.833529 Co\n0.107263 0.619003 0.166471 Co\n0.676532 0.982663 0.664274 Sn\n0.323468 0.017337 0.335726 Sn\n0.676532 0.664274 0.982663 Sn\n0.323468 0.335726 0.017337 Sn\n0.000000 0.500000 0.500000 Sn\n",
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"density": 9.23067477966585,
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"volume": 256.1549954003031,
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"formula_full": "Tb3 Co6 Sn5",
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{
"id": "mp-1200887",
"created_at": "2022-09-04T14:46:28.536384Z",
"structure_string": "Li4 Eu8 C4 I12 N8\n1.0\n0.000000 7.637080 7.637080\n7.637080 0.000000 7.637080\n7.637080 7.637080 0.000000\nLi Eu C I N\n4 8 4 12 8\ndirect\n0.625000 0.125000 0.125000 Li\n0.125000 0.625000 0.125000 Li\n0.125000 0.125000 0.625000 Li\n0.125000 0.125000 0.125000 Li\n0.775294 0.408235 0.408235 Eu\n0.408235 0.775294 0.408235 Eu\n0.408235 0.408235 0.775294 Eu\n0.408235 0.408235 0.408235 Eu\n0.474706 0.841765 0.841765 Eu\n0.841765 0.474706 0.841765 Eu\n0.841765 0.841765 0.474706 Eu\n0.841765 0.841765 0.841765 Eu\n0.125000 0.625000 0.625000 C\n0.625000 0.125000 0.625000 C\n0.625000 0.625000 0.125000 C\n0.625000 0.625000 0.625000 C\n0.800291 0.800291 0.199709 I\n0.199709 0.199709 0.800291 I\n0.800291 0.199709 0.800291 I\n0.199709 0.800291 0.199709 I\n0.199709 0.800291 0.800291 I\n0.800291 0.199709 0.199709 I\n0.449709 0.449709 0.050291 I\n0.050291 0.050291 0.449709 I\n0.449709 0.050291 0.449709 I\n0.050291 0.449709 0.050291 I\n0.050291 0.449709 0.449709 I\n0.449709 0.050291 0.050291 I\n0.265682 0.578106 0.578106 N\n0.578106 0.265682 0.578106 N\n0.578106 0.578106 0.265682 N\n0.578106 0.578106 0.578106 N\n0.984318 0.671894 0.671894 N\n0.671894 0.984318 0.671894 N\n0.671894 0.671894 0.984318 N\n0.671894 0.671894 0.671894 N\n",
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{
"id": "mp-705395",
"created_at": "2022-09-04T14:46:28.555383Z",
"structure_string": "Fe12 P16 O60\n1.0\n6.394157 0.000000 0.000000\n0.000000 10.817864 0.000000\n0.000000 0.000000 17.396697\nFe P O\n12 16 60\ndirect\n0.586362 0.006065 0.374433 Fe\n0.086362 0.506065 0.125567 Fe\n0.810894 0.259080 0.244594 Fe\n0.086362 0.993935 0.625567 Fe\n0.586362 0.493935 0.874433 Fe\n0.101940 0.506928 0.660231 Fe\n0.101940 0.993072 0.160231 Fe\n0.601940 0.493072 0.339769 Fe\n0.810894 0.240920 0.744594 Fe\n0.310894 0.740920 0.755406 Fe\n0.601940 0.006928 0.839769 Fe\n0.310894 0.759080 0.255406 Fe\n0.085775 0.475555 0.822299 P\n0.645891 0.227319 0.947998 P\n0.463680 0.735650 0.427387 P\n0.597444 0.503737 0.708221 P\n0.145891 0.772681 0.052002 P\n0.085775 0.024445 0.322299 P\n0.097444 0.003737 0.791779 P\n0.963680 0.235650 0.072613 P\n0.585775 0.975555 0.677701 P\n0.645891 0.272681 0.447998 P\n0.145891 0.727319 0.552002 P\n0.963680 0.264350 0.572613 P\n0.597444 0.996263 0.208221 P\n0.463680 0.764350 0.927387 P\n0.097444 0.496263 0.291779 P\n0.585775 0.524445 0.177701 P\n0.114329 0.590421 0.766032 O\n0.614329 0.409579 0.233968 O\n0.867431 0.294323 0.489397 O\n0.284598 0.457081 0.868897 O\n0.189385 0.689095 0.637245 O\n0.624258 0.110503 0.264796 O\n0.079785 0.142108 0.563459 O\n0.093733 0.635374 0.045272 O\n0.550356 0.868844 0.738598 O\n0.795690 0.528921 0.661661 O\n0.550356 0.631156 0.238598 O\n0.624258 0.389497 0.764796 O\n0.367431 0.705677 0.510603 O\n0.284598 0.042919 0.368898 O\n0.485792 0.357882 0.483963 O\n0.608008 0.873800 0.912729 O\n0.394891 0.993180 0.626449 O\n0.295690 0.028921 0.838339 O\n0.050356 0.368844 0.761402 O\n0.114329 0.909579 0.266032 O\n0.784598 0.542919 0.131103 O\n0.985792 0.642118 0.516037 O\n0.787882 0.243277 0.133089 O\n0.894891 0.493180 0.873551 O\n0.410034 0.016172 0.155936 O\n0.049786 0.389528 0.232091 O\n0.784598 0.957081 0.631103 O\n0.985792 0.857882 0.016037 O\n0.549786 0.610472 0.767909 O\n0.295690 0.471079 0.338339 O\n0.579785 0.642108 0.936541 O\n0.689385 0.310905 0.362755 O\n0.108008 0.373800 0.587271 O\n0.079785 0.357892 0.063459 O\n0.910034 0.983828 0.844064 O\n0.549786 0.889528 0.267909 O\n0.579785 0.857892 0.436541 O\n0.867431 0.205677 0.989397 O\n0.608008 0.626200 0.412729 O\n0.614329 0.090421 0.733968 O\n0.593733 0.364626 0.954728 O\n0.108008 0.126200 0.087271 O\n0.124258 0.889497 0.735204 O\n0.894891 0.006820 0.373551 O\n0.485792 0.142118 0.983963 O\n0.787882 0.256723 0.633089 O\n0.093733 0.864626 0.545272 O\n0.050356 0.131156 0.261402 O\n0.189385 0.810905 0.137245 O\n0.410034 0.483828 0.655936 O\n0.049786 0.110472 0.732091 O\n0.394891 0.506820 0.126449 O\n0.795690 0.971079 0.161661 O\n0.124258 0.610503 0.235204 O\n0.689385 0.189095 0.862755 O\n0.910034 0.516172 0.344064 O\n0.367431 0.794323 0.010603 O\n0.593733 0.135374 0.454728 O\n0.287882 0.743277 0.366911 O\n0.287882 0.756723 0.866911 O\n",
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{
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"structure_string": "Mn2 C12 N18\n1.0\n7.579145 0.987047 0.000000\n11.244783 7.693820 0.000000\n0.000000 0.000000 11.448160\nMn C N\n2 12 18\ndirect\n0.000000 0.274082 0.250000 Mn\n0.000000 0.725918 0.750000 Mn\n0.676758 0.785618 0.250000 C\n0.676758 0.537623 0.750000 C\n0.323242 0.214382 0.750000 C\n0.323242 0.462377 0.250000 C\n0.676116 0.310231 0.901317 C\n0.676116 0.013653 0.098683 C\n0.676116 0.310231 0.598683 C\n0.676116 0.013653 0.401317 C\n0.323884 0.689769 0.098683 C\n0.323884 0.986347 0.901317 C\n0.323884 0.689769 0.401317 C\n0.323884 0.986347 0.598683 C\n0.000000 0.576216 0.250000 N\n0.000000 0.423784 0.750000 N\n0.374593 0.976202 0.250000 N\n0.374593 0.649205 0.750000 N\n0.625407 0.023798 0.750000 N\n0.625407 0.350795 0.250000 N\n0.000000 0.121444 0.947762 N\n0.000000 0.878556 0.052238 N\n0.000000 0.121444 0.552238 N\n0.000000 0.878556 0.447762 N\n0.372333 0.484327 0.863705 N\n0.372333 0.143339 0.136295 N\n0.372333 0.484327 0.636295 N\n0.372333 0.143339 0.363705 N\n0.627667 0.515673 0.136295 N\n0.627667 0.856661 0.863705 N\n0.627667 0.515673 0.363705 N\n0.627667 0.856661 0.636295 N\n",
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{
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"structure_string": "Li4 Fe2 C4 O12\n1.0\n2.147714 0.000114 -4.786023\n5.450360 -0.000095 4.944459\n-0.000124 -7.660134 0.000150\nLi Fe C O\n4 2 4 12\ndirect\n0.608251 0.193089 0.107995 Li\n0.891772 0.306888 0.608017 Li\n0.108281 0.693159 0.391963 Li\n0.391718 0.806903 0.891991 Li\n0.999927 0.999868 0.999964 Fe\n0.500047 0.499982 0.500039 Fe\n0.327714 0.174933 0.752524 C\n0.172260 0.325072 0.252543 C\n0.827643 0.674869 0.747431 C\n0.672385 0.825155 0.247465 C\n0.408698 0.098673 0.887898 O\n0.003516 0.246896 0.130622 O\n0.496305 0.252969 0.630544 O\n0.091367 0.401359 0.387890 O\n0.077648 0.165338 0.747374 O\n0.422271 0.334678 0.247317 O\n0.577612 0.665333 0.752632 O\n0.922406 0.834679 0.252611 O\n0.908729 0.598738 0.612057 O\n0.504010 0.747313 0.369519 O\n0.996117 0.752759 0.869508 O\n0.591314 0.901341 0.112076 O\n",
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