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{
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{
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"formula_full": "Cs6 Hg6 Br18",
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{
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"structure_string": "Hg3 S3\n1.0\n2.218746 -3.842981 0.000000\n2.218746 3.842981 0.000000\n0.000000 0.000000 9.757700\nHg S\n3 3\ndirect\n0.760710 0.760710 0.000000 Hg\n0.000000 0.239290 0.666667 Hg\n0.239290 0.000000 0.333333 Hg\n0.454895 0.454895 0.500000 S\n0.000000 0.545105 0.166667 S\n0.545105 0.000000 0.833333 S\n",
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"spacegroup": 152
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{
"id": "mp-1232103",
"created_at": "2022-09-04T14:44:19.850060Z",
"structure_string": "Tb8 Mg4 S16\n1.0\n7.231922 -0.027120 0.659690\n-0.089310 8.305735 1.311099\n0.106032 0.141870 12.931789\nTb Mg S\n8 4 16\ndirect\n0.135192 0.700208 0.693605 Tb\n0.864808 0.299792 0.306395 Tb\n0.241409 0.872117 0.000640 Tb\n0.758591 0.127883 0.999360 Tb\n0.367945 0.555102 0.304678 Tb\n0.632055 0.444898 0.695322 Tb\n0.366178 0.042373 0.308337 Tb\n0.633822 0.957627 0.691663 Tb\n0.133916 0.200483 0.699959 Mg\n0.866084 0.799517 0.300041 Mg\n0.249140 0.377692 0.996185 Mg\n0.750860 0.622308 0.003815 Mg\n0.093201 0.644479 0.897351 S\n0.906799 0.355521 0.102649 S\n0.107710 0.155899 0.892151 S\n0.892290 0.844101 0.107849 S\n0.168257 0.781140 0.372084 S\n0.831743 0.218860 0.627916 S\n0.191534 0.281749 0.375653 S\n0.808466 0.718251 0.624347 S\n0.302961 0.979700 0.629407 S\n0.697039 0.020300 0.370593 S\n0.304817 0.455698 0.628763 S\n0.695183 0.544302 0.371237 S\n0.393540 0.103812 0.104115 S\n0.606460 0.896188 0.895885 S\n0.404971 0.592321 0.101366 S\n0.595029 0.407679 0.898634 S\n",
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],
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"formula_full": "Tb8 Mg4 S16",
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{
"id": "mp-1040051",
"created_at": "2022-09-04T14:44:21.887379Z",
"structure_string": "Li1 Mg30 Ga1 O32\n1.0\n8.504064 0.000000 0.000000\n0.000000 8.504064 0.000000\n0.000000 0.000000 8.507230\nLi Mg Ga O\n1 30 1 32\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.249119 0.245088 Mg\n0.000000 0.249119 0.754912 Mg\n0.000000 0.750881 0.245088 Mg\n0.000000 0.750881 0.754912 Mg\n0.500000 0.249928 0.248775 Mg\n0.500000 0.249928 0.751225 Mg\n0.500000 0.750072 0.248775 Mg\n0.500000 0.750072 0.751225 Mg\n0.249119 0.000000 0.245088 Mg\n0.249119 0.000000 0.754912 Mg\n0.249928 0.500000 0.248775 Mg\n0.249928 0.500000 0.751225 Mg\n0.750881 0.000000 0.245088 Mg\n0.750881 0.000000 0.754912 Mg\n0.750072 0.500000 0.248775 Mg\n0.750072 0.500000 0.751225 Mg\n0.247290 0.247290 0.000000 Mg\n0.251014 0.251014 0.500000 Mg\n0.247290 0.752710 0.000000 Mg\n0.251014 0.748986 0.500000 Mg\n0.752710 0.247290 0.000000 Mg\n0.748986 0.251014 0.500000 Mg\n0.752710 0.752710 0.000000 Mg\n0.748986 0.748986 0.500000 Mg\n0.000000 0.000000 0.500000 Ga\n0.254579 0.000000 0.000000 O\n0.244275 0.000000 0.500000 O\n0.250599 0.500000 0.000000 O\n0.248955 0.500000 0.500000 O\n0.745421 0.000000 0.000000 O\n0.755725 0.000000 0.500000 O\n0.749401 0.500000 0.000000 O\n0.751045 0.500000 0.500000 O\n0.249614 0.249614 0.250818 O\n0.249614 0.249614 0.749182 O\n0.249614 0.750386 0.250818 O\n0.249614 0.750386 0.749182 O\n0.750386 0.249614 0.250818 O\n0.750386 0.249614 0.749182 O\n0.750386 0.750386 0.250818 O\n0.750386 0.750386 0.749182 O\n0.000000 0.000000 0.265998 O\n0.000000 0.000000 0.734002 O\n0.000000 0.500000 0.252819 O\n0.000000 0.500000 0.747181 O\n0.500000 0.000000 0.252819 O\n0.500000 0.000000 0.747181 O\n0.500000 0.500000 0.251166 O\n0.500000 0.500000 0.748834 O\n0.000000 0.254579 0.000000 O\n0.000000 0.244275 0.500000 O\n0.000000 0.745421 0.000000 O\n0.000000 0.755725 0.500000 O\n0.500000 0.250599 0.000000 O\n0.500000 0.248955 0.500000 O\n0.500000 0.749401 0.000000 O\n0.500000 0.751045 0.500000 O\n",
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},
{
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"structure_string": "Nb1 Cu3 Te2 Se2\n1.0\n0.000000 5.857583 -0.055656\n0.000000 -0.055656 5.857583\n5.838733 0.000000 0.000000\nNb Cu Te Se\n1 3 2 2\ndirect\n0.000000 0.000000 0.996824 Nb\n0.000000 0.500000 0.986860 Cu\n0.500000 0.000000 0.986860 Cu\n0.000000 0.000000 0.505337 Cu\n0.734429 0.734429 0.259656 Te\n0.265571 0.265571 0.259656 Te\n0.758733 0.241267 0.752403 Se\n0.241267 0.758733 0.752403 Se\n",
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{
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"structure_string": "Be8 As4 H36 O36\n1.0\n12.733653 0.000000 0.000000\n0.000000 7.254827 0.000000\n0.000000 1.100501 8.566249\nBe As H O\n8 4 36 36\ndirect\n0.377875 0.122637 0.638193 Be\n0.877874 0.377363 0.361807 Be\n0.622125 0.877363 0.361807 Be\n0.122125 0.622637 0.638193 Be\n0.373359 0.351559 0.892629 Be\n0.873359 0.148441 0.107371 Be\n0.626641 0.648441 0.107371 Be\n0.126641 0.851559 0.892629 Be\n0.327105 0.737376 0.758051 As\n0.827105 0.762624 0.241949 As\n0.672895 0.262624 0.241949 As\n0.172895 0.237376 0.758051 As\n0.487260 0.175539 0.414446 H\n0.987260 0.324461 0.585554 H\n0.512740 0.824461 0.585554 H\n0.012740 0.675539 0.414446 H\n0.390709 0.331343 0.416423 H\n0.890709 0.168657 0.583577 H\n0.609291 0.668657 0.583577 H\n0.109291 0.831343 0.416423 H\n0.477023 0.337081 0.112571 H\n0.977023 0.162919 0.887429 H\n0.522977 0.662919 0.887429 H\n0.022977 0.837081 0.112571 H\n0.396438 0.158013 0.117828 H\n0.896438 0.341987 0.882172 H\n0.603562 0.841987 0.882172 H\n0.103562 0.658013 0.117828 H\n0.316105 0.886402 0.071988 H\n0.816105 0.613598 0.928012 H\n0.683895 0.113598 0.928012 H\n0.183895 0.386402 0.071988 H\n0.294139 0.944664 0.239607 H\n0.794139 0.555336 0.760393 H\n0.705861 0.055336 0.760393 H\n0.205861 0.444664 0.239607 H\n0.353386 0.624527 0.282107 H\n0.853386 0.875473 0.717893 H\n0.646614 0.375473 0.717893 H\n0.146614 0.124527 0.282107 H\n0.297393 0.584715 0.445711 H\n0.797393 0.915285 0.554289 H\n0.702607 0.415285 0.554289 H\n0.202607 0.084715 0.445711 H\n0.499517 0.181321 0.800815 H\n0.999517 0.318679 0.199185 H\n0.500483 0.818679 0.199185 H\n0.000483 0.681321 0.800815 H\n0.245607 0.328367 0.897435 O\n0.745607 0.171633 0.102565 O\n0.754393 0.671633 0.102565 O\n0.254393 0.828367 0.897435 O\n0.410221 0.901537 0.663891 O\n0.910221 0.598463 0.336109 O\n0.589779 0.098463 0.336109 O\n0.089779 0.401537 0.663891 O\n0.410638 0.569574 0.846078 O\n0.910638 0.930426 0.153922 O\n0.589362 0.430426 0.153922 O\n0.089362 0.069574 0.846078 O\n0.251151 0.153459 0.621496 O\n0.751151 0.346541 0.378504 O\n0.748849 0.846541 0.378504 O\n0.248849 0.653459 0.621496 O\n0.427308 0.221234 0.778617 O\n0.927308 0.278766 0.221383 O\n0.572692 0.778766 0.221383 O\n0.072692 0.721234 0.778617 O\n0.419784 0.209293 0.464541 O\n0.919784 0.290707 0.535459 O\n0.580216 0.790707 0.535459 O\n0.080216 0.709293 0.464541 O\n0.406779 0.292204 0.078695 O\n0.906779 0.207796 0.921305 O\n0.593221 0.707796 0.921305 O\n0.093221 0.792204 0.078695 O\n0.351811 0.917478 0.168177 O\n0.851811 0.582522 0.831823 O\n0.648189 0.082522 0.831823 O\n0.148189 0.417478 0.168177 O\n0.318917 0.525684 0.352285 O\n0.818917 0.974316 0.647715 O\n0.681083 0.474316 0.647715 O\n0.181083 0.025684 0.352285 O\n",
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{
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