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{
"id": "mp-541415",
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"structure_string": "K4 H20 S8 O36\n1.0\n13.704902 0.000000 0.000000\n0.000000 7.491368 0.000000\n0.000000 2.557611 8.209655\nK H S O\n4 20 8 36\ndirect\n0.468293 0.904656 0.775359 K\n0.968293 0.095344 0.724641 K\n0.531707 0.095344 0.224641 K\n0.031707 0.904656 0.275359 K\n0.432699 0.378234 0.514435 H\n0.932699 0.621766 0.985565 H\n0.567301 0.621766 0.485565 H\n0.067301 0.378234 0.014435 H\n0.725557 0.852763 0.967949 H\n0.225557 0.147237 0.532051 H\n0.274443 0.147237 0.032051 H\n0.774443 0.852763 0.467949 H\n0.793755 0.450895 0.796973 H\n0.293755 0.549105 0.703027 H\n0.206245 0.549105 0.203027 H\n0.706245 0.450895 0.296973 H\n0.669301 0.457415 0.784193 H\n0.169301 0.542585 0.715807 H\n0.330699 0.542585 0.215807 H\n0.830699 0.457415 0.284193 H\n0.725506 0.306318 0.950136 H\n0.225506 0.693682 0.549864 H\n0.274494 0.693682 0.049864 H\n0.774494 0.306318 0.450136 H\n0.475222 0.403384 0.754127 S\n0.975222 0.596616 0.745873 S\n0.524778 0.596616 0.245873 S\n0.024778 0.403384 0.254127 S\n0.798253 0.991009 0.122177 S\n0.298253 0.008991 0.377823 S\n0.201747 0.008991 0.877823 S\n0.701747 0.991009 0.622177 S\n0.495590 0.254936 0.901903 O\n0.995590 0.745064 0.598097 O\n0.504410 0.745064 0.098097 O\n0.004410 0.254936 0.401903 O\n0.566112 0.503313 0.677716 O\n0.066112 0.496687 0.822284 O\n0.433888 0.496687 0.322284 O\n0.933888 0.503313 0.177716 O\n0.401147 0.539824 0.769300 O\n0.901147 0.460176 0.730700 O\n0.598853 0.460176 0.230700 O\n0.098853 0.539824 0.269300 O\n0.433683 0.298509 0.633133 O\n0.933683 0.701491 0.866867 O\n0.566317 0.701491 0.366867 O\n0.066317 0.298509 0.133133 O\n0.825725 0.918050 0.294445 O\n0.325725 0.081950 0.205555 O\n0.174275 0.081950 0.705555 O\n0.674275 0.918050 0.794445 O\n0.882663 0.056202 0.017779 O\n0.382663 0.943798 0.482221 O\n0.117337 0.943798 0.982221 O\n0.617337 0.056202 0.517779 O\n0.720429 0.135628 0.094535 O\n0.220429 0.864372 0.405465 O\n0.279571 0.864372 0.905465 O\n0.779571 0.135628 0.594535 O\n0.752506 0.815717 0.083389 O\n0.252506 0.184283 0.416611 O\n0.247494 0.184283 0.916611 O\n0.747494 0.815717 0.583389 O\n0.728536 0.433532 0.857784 O\n0.228536 0.566468 0.642216 O\n0.271464 0.566468 0.142216 O\n0.771464 0.433532 0.357784 O\n",
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{
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"structure_string": "Mn4 B4 O12\n1.0\n2.322351 -4.102777 0.096902\n2.304732 1.238275 4.955646\n-4.661256 -2.867850 5.087514\nMn B O\n4 4 12\ndirect\n0.500054 0.499844 0.499944 Mn\n0.500035 0.500141 0.999952 Mn\n0.000070 0.000016 0.000062 Mn\n0.999830 0.999848 0.499980 Mn\n0.983591 0.490516 0.238244 B\n0.521377 0.998869 0.742452 B\n0.016624 0.509361 0.761804 B\n0.478395 0.001306 0.257578 B\n0.813956 0.994716 0.735731 O\n0.277421 0.504209 0.228612 O\n0.151102 0.646303 0.599707 O\n0.624058 0.161058 0.111642 O\n0.631840 0.836261 0.391770 O\n0.175564 0.373445 0.905551 O\n0.367976 0.163667 0.608076 O\n0.824698 0.626416 0.094463 O\n0.849140 0.353602 0.400351 O\n0.375698 0.839194 0.888440 O\n0.185834 0.005395 0.264210 O\n0.722735 0.495833 0.771431 O\n",
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{
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"structure_string": "Sr6 Ca2 Fe3 Co5 O24\n1.0\n7.746357 0.000000 0.000000\n0.000000 7.690442 0.000000\n0.000000 0.003349 7.756008\nSr Ca Fe Co O\n6 2 3 5 24\ndirect\n0.249782 0.747280 0.750440 Sr\n0.249787 0.747048 0.249496 Sr\n0.750216 0.746975 0.249429 Sr\n0.249787 0.252952 0.750504 Sr\n0.249782 0.252720 0.249560 Sr\n0.750216 0.253025 0.750571 Sr\n0.750634 0.747123 0.750918 Ca\n0.750634 0.252877 0.249082 Ca\n0.998779 0.000000 0.000000 Fe\n0.998429 0.000000 0.500000 Fe\n0.501135 0.000000 0.000000 Fe\n0.501081 0.000000 0.500000 Co\n0.998809 0.500000 0.000000 Co\n0.998593 0.500000 0.500000 Co\n0.501586 0.500000 0.000000 Co\n0.501690 0.500000 0.500000 Co\n0.997223 0.739019 0.998299 O\n0.996819 0.748310 0.502225 O\n0.503357 0.748156 0.998284 O\n0.503097 0.738790 0.502188 O\n0.997223 0.260981 0.001701 O\n0.996819 0.251690 0.497775 O\n0.503357 0.251844 0.001716 O\n0.503097 0.261210 0.497812 O\n0.247646 0.000000 0.000000 O\n0.257206 0.000000 0.500000 O\n0.752300 0.000000 0.000000 O\n0.742579 0.000000 0.500000 O\n0.250875 0.500000 0.000000 O\n0.237910 0.500000 0.500000 O\n0.749286 0.500000 0.000000 O\n0.761193 0.500000 0.500000 O\n0.996861 0.998100 0.752325 O\n0.996861 0.001900 0.247675 O\n0.503175 0.997482 0.742992 O\n0.503175 0.002518 0.257008 O\n0.996229 0.502644 0.749347 O\n0.996229 0.497356 0.250653 O\n0.503271 0.501664 0.761421 O\n0.503271 0.498336 0.238579 O\n",
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"elements": [
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"volume": 462.047960491996,
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"formula_full": "Sr6 Ca2 Fe3 Co5 O24",
"formula_reduced": "Sr6Ca2Fe3Co5O24",
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{
"id": "mp-772411",
"created_at": "2022-09-04T14:47:07.806296Z",
"structure_string": "Na8 Li4 Mn4 P4 C4 O28\n1.0\n6.777434 0.000000 0.000000\n0.014372 8.869193 0.000000\n0.008618 0.156218 10.230653\nNa Li Mn P C O\n8 4 4 4 4 28\ndirect\n0.750579 0.084059 0.879450 Na\n0.744006 0.082257 0.378345 Na\n0.000579 0.256527 0.623457 Na\n0.499333 0.256029 0.623617 Na\n0.999864 0.255147 0.125948 Na\n0.498188 0.745141 0.874831 Na\n0.498276 0.744245 0.377130 Na\n0.000740 0.744693 0.376623 Na\n0.523193 0.273643 0.116058 Li\n0.020585 0.728776 0.884111 Li\n0.242382 0.909638 0.627049 Li\n0.254266 0.911811 0.124641 Li\n0.254450 0.359616 0.889732 Mn\n0.250922 0.362148 0.387226 Mn\n0.751289 0.641895 0.612794 Mn\n0.754100 0.643567 0.110137 Mn\n0.756893 0.413662 0.854260 P\n0.745442 0.408673 0.350300 P\n0.245655 0.597405 0.650384 P\n0.255783 0.592264 0.145981 P\n0.241070 0.044556 0.868151 C\n0.250997 0.052008 0.363951 C\n0.751053 0.941670 0.634096 C\n0.741343 0.947220 0.131117 C\n0.751240 0.086327 0.644809 O\n0.723496 0.092505 0.140175 O\n0.247294 0.085898 0.989069 O\n0.249605 0.089425 0.486879 O\n0.256041 0.145915 0.773990 O\n0.253308 0.155668 0.272217 O\n0.938843 0.316785 0.895352 O\n0.571459 0.326609 0.905335 O\n0.933340 0.316483 0.387796 O\n0.565248 0.316564 0.400230 O\n0.748478 0.425757 0.701869 O\n0.249448 0.437690 0.589622 O\n0.733238 0.423694 0.197433 O\n0.267420 0.429979 0.090023 O\n0.768080 0.576417 0.907896 O\n0.233005 0.577386 0.802564 O\n0.749416 0.569155 0.408413 O\n0.247768 0.575855 0.297936 O\n0.431787 0.692410 0.614623 O\n0.067751 0.693559 0.601994 O\n0.435779 0.691968 0.106571 O\n0.071646 0.682033 0.096393 O\n0.753044 0.854531 0.737922 O\n0.753570 0.862342 0.236687 O\n0.748595 0.880080 0.519225 O\n0.748631 0.882940 0.018455 O\n0.221411 0.903644 0.836997 O\n0.250071 0.911733 0.330133 O\n",
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{
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"structure_string": "Pr4 Zn10 Sn2\n1.0\n2.259468 -8.325694 0.000000\n2.259468 8.325694 0.000000\n0.000000 0.000000 9.106060\nPr Zn Sn\n4 10 2\ndirect\n0.205575 0.794425 0.250000 Pr\n0.794425 0.205575 0.750000 Pr\n0.000000 0.000000 0.500000 Pr\n0.000000 0.000000 0.000000 Pr\n0.814406 0.185594 0.391990 Zn\n0.185594 0.814406 0.608010 Zn\n0.814406 0.185594 0.108010 Zn\n0.185594 0.814406 0.891990 Zn\n0.656390 0.343610 0.484159 Zn\n0.343610 0.656390 0.515841 Zn\n0.656390 0.343610 0.015841 Zn\n0.343610 0.656390 0.984159 Zn\n0.395553 0.604447 0.250000 Zn\n0.604447 0.395553 0.750000 Zn\n0.554933 0.445067 0.250000 Sn\n0.445067 0.554933 0.750000 Sn\n",
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{
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"structure_string": "Ba6 Sm2 B18 O36\n1.0\n3.653560 -6.328151 0.000000\n3.653560 6.328151 0.000000\n0.000000 0.000000 17.774709\nBa Sm B O\n6 2 18 36\ndirect\n0.666667 0.333333 0.866691 Ba\n0.333333 0.666667 0.133309 Ba\n0.333333 0.666667 0.366691 Ba\n0.666667 0.333333 0.633309 Ba\n0.000000 0.000000 0.750000 Ba\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.000000 Sm\n0.000000 0.000000 0.500000 Sm\n0.548812 0.835195 0.917745 B\n0.451188 0.164805 0.082255 B\n0.286383 0.451188 0.917745 B\n0.451188 0.164805 0.417745 B\n0.713617 0.548812 0.082255 B\n0.548812 0.835195 0.582255 B\n0.164805 0.713617 0.917745 B\n0.713617 0.548812 0.417745 B\n0.835195 0.286383 0.082255 B\n0.286383 0.451188 0.582255 B\n0.835195 0.286383 0.417745 B\n0.164805 0.713617 0.582255 B\n0.504452 0.622020 0.750000 B\n0.495548 0.377980 0.250000 B\n0.117568 0.495548 0.750000 B\n0.882432 0.504452 0.250000 B\n0.377980 0.882432 0.750000 B\n0.622020 0.117568 0.250000 B\n0.541105 0.832384 0.750000 O\n0.458895 0.167616 0.250000 O\n0.291279 0.458895 0.750000 O\n0.708721 0.541105 0.250000 O\n0.167616 0.708721 0.750000 O\n0.832384 0.291279 0.250000 O\n0.920865 0.333577 0.750000 O\n0.079135 0.666423 0.250000 O\n0.412713 0.079135 0.750000 O\n0.587287 0.920865 0.250000 O\n0.666423 0.587287 0.750000 O\n0.333577 0.412713 0.250000 O\n0.746764 0.995903 0.917645 O\n0.253236 0.004097 0.082355 O\n0.249139 0.253236 0.917645 O\n0.253236 0.004097 0.417645 O\n0.750861 0.746764 0.082355 O\n0.746764 0.995903 0.582355 O\n0.004097 0.750861 0.917645 O\n0.750861 0.746764 0.417645 O\n0.995903 0.249139 0.082355 O\n0.249139 0.253236 0.582355 O\n0.995903 0.249139 0.417645 O\n0.004097 0.750861 0.582355 O\n0.496943 0.621440 0.918109 O\n0.503057 0.378560 0.081891 O\n0.124497 0.503057 0.918109 O\n0.503057 0.378560 0.418109 O\n0.875503 0.496943 0.081891 O\n0.496943 0.621440 0.581891 O\n0.378560 0.875503 0.918109 O\n0.875503 0.496943 0.418109 O\n0.621440 0.124497 0.081891 O\n0.124497 0.503057 0.581891 O\n0.621440 0.124497 0.418109 O\n0.378560 0.875503 0.581891 O\n",
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{
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"structure_string": "Nd8 Mn2 S14\n1.0\n4.926485 -8.532923 0.000000\n4.926485 8.532923 0.000000\n0.000000 0.000000 6.995400\nNd Mn S\n8 2 14\ndirect\n0.213510 0.377669 0.267443 Nd\n0.622331 0.835841 0.267443 Nd\n0.164159 0.786490 0.267443 Nd\n0.786490 0.622331 0.767443 Nd\n0.377669 0.164159 0.767443 Nd\n0.835841 0.213510 0.767443 Nd\n0.333333 0.666667 0.814020 Nd\n0.666667 0.333333 0.314020 Nd\n0.000000 0.000000 0.494553 Mn\n0.000000 0.000000 0.994553 Mn\n0.133108 0.244786 0.663660 S\n0.755214 0.888321 0.663660 S\n0.111678 0.866892 0.663660 S\n0.866892 0.755214 0.163660 S\n0.244786 0.111678 0.163660 S\n0.888321 0.133108 0.163660 S\n0.073809 0.517967 0.030892 S\n0.482033 0.555842 0.030892 S\n0.444158 0.926191 0.030892 S\n0.926191 0.482033 0.530892 S\n0.517967 0.444158 0.530892 S\n0.555842 0.073809 0.530892 S\n0.333333 0.666667 0.432473 S\n0.666667 0.333333 0.932473 S\n",
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