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{
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"structure_string": "Li4 Fe4 C8 O24\n1.0\n9.991807 0.000000 0.000000\n0.000000 7.335475 0.000000\n0.000000 4.901550 7.670798\nLi Fe C O\n4 4 8 24\ndirect\n0.610697 0.657833 0.835424 Li\n0.110697 0.342167 0.664576 Li\n0.889303 0.657833 0.335424 Li\n0.389303 0.342167 0.164576 Li\n0.146037 0.514090 0.925270 Fe\n0.646037 0.485910 0.574730 Fe\n0.353963 0.514090 0.425270 Fe\n0.853963 0.485910 0.074730 Fe\n0.389040 0.468444 0.776350 C\n0.889040 0.531556 0.723650 C\n0.008940 0.094002 0.140571 C\n0.508940 0.905998 0.359429 C\n0.491060 0.094002 0.640571 C\n0.991060 0.905998 0.859429 C\n0.110960 0.468444 0.276350 C\n0.610960 0.531556 0.223650 C\n0.339926 0.477204 0.905781 O\n0.017256 0.533886 0.736603 O\n0.806807 0.536686 0.830716 O\n0.306807 0.463314 0.669284 O\n0.517256 0.466114 0.763397 O\n0.507825 0.107822 0.282028 O\n0.839926 0.522796 0.594219 O\n0.904139 0.199440 0.147172 O\n0.113624 0.207119 0.050937 O\n0.613624 0.792881 0.449063 O\n0.404139 0.800560 0.352828 O\n0.992175 0.107822 0.782028 O\n0.007825 0.892178 0.217972 O\n0.595861 0.199440 0.647172 O\n0.386376 0.207119 0.550937 O\n0.886376 0.792881 0.949063 O\n0.095861 0.800560 0.852828 O\n0.160074 0.477204 0.405781 O\n0.492175 0.892178 0.717972 O\n0.482744 0.533886 0.236603 O\n0.693193 0.536686 0.330716 O\n0.193193 0.463314 0.169284 O\n0.982744 0.466114 0.263397 O\n0.660074 0.522796 0.094219 O\n",
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{
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"elements": [
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],
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"spacegroup": 74
},
{
"id": "mp-971757",
"created_at": "2022-09-04T14:40:19.831370Z",
"structure_string": "Zn1 Hg3\n1.0\n0.000000 3.708506 3.708506\n3.708506 0.000000 3.708506\n3.708506 3.708506 0.000000\nZn Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n0.500000 0.500000 0.500000 Hg\n",
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"spacegroup": 225
},
{
"id": "mp-1226766",
"created_at": "2022-09-04T14:40:19.827461Z",
"structure_string": "Co4 H32 C16 N12 O24\n1.0\n-8.527575 0.000000 0.000000\n0.000000 0.000000 -8.844819\n0.000000 -12.025640 0.000000\nCo H C N O\n4 32 16 12 24\ndirect\n0.249788 0.250790 0.750379 Co\n0.250212 0.249210 0.250379 Co\n0.750212 0.750790 0.250379 Co\n0.749788 0.749210 0.750379 Co\n0.907485 0.073422 0.785679 H\n0.597233 0.072448 0.213625 H\n0.902767 0.427552 0.713625 H\n0.592515 0.426578 0.285679 H\n0.097233 0.927552 0.213625 H\n0.407485 0.926578 0.785679 H\n0.092515 0.573422 0.285679 H\n0.402767 0.572448 0.713625 H\n0.170397 0.931145 0.918674 H\n0.330812 0.932405 0.080763 H\n0.169188 0.567595 0.580763 H\n0.329603 0.568855 0.418674 H\n0.830812 0.067595 0.080763 H\n0.670397 0.068855 0.918674 H\n0.829603 0.431145 0.418674 H\n0.669188 0.432405 0.580763 H\n0.085686 0.752756 0.877687 H\n0.414932 0.755213 0.123347 H\n0.085068 0.744787 0.623347 H\n0.414314 0.747244 0.377687 H\n0.914932 0.244787 0.123347 H\n0.585686 0.247244 0.877687 H\n0.914314 0.252756 0.377687 H\n0.585068 0.255213 0.623347 H\n0.247578 0.326190 0.998844 H\n0.252422 0.173810 0.498844 H\n0.747578 0.673810 0.998844 H\n0.752422 0.826190 0.498844 H\n0.326579 0.541767 0.051536 H\n0.173421 0.958233 0.551536 H\n0.826579 0.458233 0.051536 H\n0.673421 0.041767 0.551536 H\n0.249349 0.741501 0.000744 C\n0.250651 0.758499 0.500744 C\n0.749349 0.258499 0.000744 C\n0.750651 0.241501 0.500744 C\n0.980472 0.014307 0.723102 C\n0.519955 0.015803 0.275241 C\n0.980045 0.484197 0.775241 C\n0.519528 0.485693 0.223102 C\n0.019955 0.984197 0.275241 C\n0.480472 0.985693 0.723102 C\n0.019528 0.514307 0.223102 C\n0.480045 0.515803 0.775241 C\n0.250127 0.201855 0.999548 C\n0.249873 0.298145 0.499548 C\n0.750127 0.798145 0.999548 C\n0.749873 0.701855 0.499548 C\n0.235166 0.589116 0.006486 N\n0.264834 0.910884 0.506486 N\n0.735166 0.410884 0.006486 N\n0.764834 0.089116 0.506486 N\n0.160615 0.815526 0.926473 N\n0.341897 0.816782 0.072304 N\n0.158103 0.683218 0.572304 N\n0.339385 0.684474 0.426473 N\n0.841897 0.183218 0.072304 N\n0.660615 0.184474 0.926473 N\n0.839385 0.315526 0.426473 N\n0.658103 0.316782 0.572304 N\n0.102336 0.080493 0.686485 O\n0.399318 0.084936 0.308489 O\n0.100682 0.415064 0.808489 O\n0.397664 0.419507 0.186485 O\n0.899318 0.915064 0.308489 O\n0.602336 0.919507 0.686485 O\n0.897664 0.580493 0.186485 O\n0.600682 0.584936 0.808489 O\n0.938458 0.882913 0.692760 O\n0.559139 0.883428 0.306676 O\n0.940861 0.616572 0.806676 O\n0.561542 0.617087 0.192760 O\n0.059139 0.116572 0.306676 O\n0.438458 0.117087 0.692760 O\n0.061542 0.382913 0.192760 O\n0.440861 0.383428 0.806676 O\n0.243265 0.133463 0.906097 O\n0.258564 0.133860 0.092661 O\n0.241436 0.366140 0.592661 O\n0.256735 0.366537 0.406097 O\n0.758564 0.866140 0.092661 O\n0.743265 0.866537 0.906097 O\n0.756735 0.633463 0.406097 O\n0.741436 0.633860 0.592661 O\n",
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"density": 1.85311792594624,
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"formula_full": "Co4 H32 C16 N12 O24",
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{
"id": "mp-1174353",
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"structure_string": "Li8 Co6 O14\n1.0\n1.501468 16.595170 0.000000\n-1.501468 16.595170 0.000000\n0.000000 0.022280 5.040237\nLi Co O\n8 6 14\ndirect\n0.928424 0.928424 0.147039 Li\n0.357303 0.357303 0.286707 Li\n0.785688 0.785688 0.428535 Li\n0.214312 0.214312 0.571465 Li\n0.642697 0.642697 0.713293 Li\n0.500000 0.500000 0.000000 Li\n0.071576 0.071576 0.852961 Li\n0.000000 0.000000 0.500000 Li\n0.431729 0.431729 0.643435 Co\n0.568271 0.568271 0.356565 Co\n0.857938 0.857938 0.779753 Co\n0.286113 0.286113 0.929286 Co\n0.713887 0.713887 0.070714 Co\n0.142062 0.142062 0.220247 Co\n0.961632 0.961632 0.812468 O\n0.394055 0.394055 0.930980 O\n0.822352 0.822352 0.086802 O\n0.250197 0.250197 0.230280 O\n0.678800 0.678800 0.375017 O\n0.539762 0.539762 0.644712 O\n0.107130 0.107130 0.516991 O\n0.892870 0.892870 0.483009 O\n0.321200 0.321200 0.624983 O\n0.749803 0.749803 0.769720 O\n0.177648 0.177648 0.913198 O\n0.605945 0.605945 0.069020 O\n0.460238 0.460238 0.355288 O\n0.038368 0.038368 0.187532 O\n",
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{
"id": "mp-561181",
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{
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"structure_string": "Ba2 Ca2 I8\n1.0\n-4.987513 5.493367 5.527352\n4.987513 -5.493367 5.527352\n4.987513 5.493367 -5.527352\nBa Ca I\n2 2 8\ndirect\n0.020536 0.750000 0.270536 Ba\n0.979464 0.250000 0.729464 Ba\n0.500000 0.500000 0.500000 Ca\n0.500000 0.000000 0.000000 Ca\n0.298638 0.567117 0.731521 I\n0.213792 0.019864 0.733656 I\n0.786208 0.519864 0.806072 I\n0.664404 0.932883 0.731521 I\n0.335596 0.067117 0.268479 I\n0.786208 0.980136 0.266344 I\n0.213792 0.480136 0.193928 I\n0.701362 0.432883 0.268479 I\n",
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