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{
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{
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"structure_string": "La16 Zn8 Se16 O16\n1.0\n8.994159 -11.534265 0.000000\n8.994159 11.534265 0.000000\n0.000000 0.000000 5.776965\nLa Zn Se O\n16 8 16 16\ndirect\n0.568518 0.068518 0.750000 La\n0.931482 0.431482 0.250000 La\n0.431482 0.931482 0.250000 La\n0.068518 0.568518 0.750000 La\n0.680899 0.680899 0.275214 La\n0.319101 0.319101 0.724786 La\n0.819101 0.819101 0.775214 La\n0.180899 0.180899 0.224786 La\n0.807304 0.557228 0.767725 La\n0.442772 0.192696 0.232275 La\n0.942772 0.692696 0.267725 La\n0.307304 0.057228 0.732275 La\n0.192696 0.442772 0.232275 La\n0.557228 0.807304 0.767725 La\n0.057228 0.307304 0.732275 La\n0.692696 0.942772 0.267725 La\n0.069747 0.930253 0.500000 Zn\n0.569747 0.430253 0.000000 Zn\n0.930253 0.069747 0.500000 Zn\n0.430253 0.569747 0.000000 Zn\n0.310672 0.689328 0.500000 Zn\n0.810672 0.189328 0.000000 Zn\n0.689328 0.310672 0.500000 Zn\n0.189328 0.810672 0.000000 Zn\n0.333353 0.833353 0.750000 Se\n0.166647 0.666647 0.250000 Se\n0.666647 0.166647 0.250000 Se\n0.833353 0.333353 0.750000 Se\n0.915287 0.915287 0.289847 Se\n0.084713 0.084713 0.710153 Se\n0.584713 0.584713 0.789847 Se\n0.415287 0.415287 0.210153 Se\n0.042702 0.789832 0.760813 Se\n0.210168 0.957298 0.239187 Se\n0.710168 0.457298 0.260813 Se\n0.542702 0.289832 0.739187 Se\n0.957298 0.210168 0.239187 Se\n0.789832 0.042702 0.760813 Se\n0.289832 0.542702 0.739187 Se\n0.457298 0.710168 0.260813 Se\n0.940329 0.565099 0.005174 O\n0.434901 0.059671 0.994826 O\n0.934901 0.559671 0.505174 O\n0.440329 0.065099 0.494826 O\n0.059671 0.434901 0.994826 O\n0.565099 0.940329 0.005174 O\n0.065099 0.440329 0.494826 O\n0.559671 0.934901 0.505174 O\n0.688190 0.813369 0.024174 O\n0.186631 0.311810 0.975826 O\n0.686631 0.811810 0.524174 O\n0.188190 0.313369 0.475826 O\n0.311810 0.186631 0.975826 O\n0.813369 0.688190 0.024174 O\n0.313369 0.188190 0.475826 O\n0.811810 0.686631 0.524174 O\n",
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],
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"spacegroup": 64
},
{
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"created_at": "2022-09-04T14:47:00.290985Z",
"structure_string": "Si4\n1.0\n1.925241 -3.334615 0.000000\n1.925241 3.334615 0.000000\n0.000000 0.000000 6.365686\nSi\n4\ndirect\n0.333333 0.666667 0.062956 Si\n0.666667 0.333333 0.562956 Si\n0.333333 0.666667 0.437044 Si\n0.666667 0.333333 0.937044 Si\n",
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"elements": [
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"volume": 81.73461274842057,
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"formula_full": "Si4",
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"updated_at": "2021-11-28T01:37:47.219000Z",
"spacegroup": 194
},
{
"id": "mp-1075693",
"created_at": "2022-09-04T14:46:59.094965Z",
"structure_string": "Mg10 Si18\n1.0\n7.606799 0.000000 0.000000\n3.778542 6.673121 0.000000\n1.692399 2.436783 9.590076\nMg Si\n10 18\ndirect\n0.514030 0.967028 0.714736 Mg\n0.164128 0.885232 0.356603 Mg\n0.376821 0.410741 0.532916 Mg\n0.722548 0.499185 0.391924 Mg\n0.124869 0.186099 0.537849 Mg\n0.880310 0.688959 0.555739 Mg\n0.363749 0.973325 0.057926 Mg\n0.784290 0.950128 0.913696 Mg\n0.874618 0.215179 0.062449 Mg\n0.464533 0.605104 0.919157 Mg\n0.770966 0.844639 0.217672 Si\n0.118379 0.537656 0.975027 Si\n0.722881 0.119345 0.361126 Si\n0.127510 0.793506 0.695867 Si\n0.447159 0.518322 0.229123 Si\n0.717770 0.363488 0.721635 Si\n0.489117 0.232043 0.122723 Si\n0.831267 0.592828 0.852157 Si\n0.125948 0.296938 0.198408 Si\n0.805764 0.098027 0.594393 Si\n0.126090 0.999132 0.848632 Si\n0.111372 0.779056 0.097928 Si\n0.490936 0.974791 0.399879 Si\n0.130336 0.325474 0.760942 Si\n0.429272 0.296841 0.852751 Si\n0.720993 0.612398 0.104890 Si\n0.468241 0.703394 0.592011 Si\n0.096208 0.531267 0.331614 Si\n",
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],
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"volume": 486.802712378273,
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"formula_full": "Mg10 Si18",
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"spacegroup": 1
},
{
"id": "mp-1196151",
"created_at": "2022-09-04T14:47:02.931289Z",
"structure_string": "In2 Hg14 S12 Cl10\n1.0\n7.589020 0.000000 0.000000\n-0.536744 10.763629 0.000000\n-3.754744 -4.941035 12.647150\nIn Hg S Cl\n2 14 12 10\ndirect\n0.886100 0.139378 0.323406 In\n0.113900 0.860622 0.676594 In\n0.000000 0.000000 0.000000 Hg\n0.373457 0.957367 0.227329 Hg\n0.626543 0.042633 0.772671 Hg\n0.623576 0.543715 0.772669 Hg\n0.376424 0.456285 0.227331 Hg\n0.719448 0.881414 0.434751 Hg\n0.280552 0.118586 0.565249 Hg\n0.307623 0.702856 0.938395 Hg\n0.692377 0.297144 0.061605 Hg\n0.216048 0.361919 0.939930 Hg\n0.783952 0.638081 0.060070 Hg\n0.016716 0.385994 0.660011 Hg\n0.983284 0.614006 0.339989 Hg\n0.500000 0.500000 0.500000 Hg\n0.045418 0.495251 0.850331 S\n0.954582 0.504749 0.149669 S\n0.637337 0.381258 0.610146 S\n0.362663 0.618742 0.389854 S\n0.627534 0.729285 0.929008 S\n0.372466 0.270715 0.070992 S\n0.134801 0.834559 0.063304 S\n0.865199 0.165441 0.936696 S\n0.871534 0.715707 0.490470 S\n0.128466 0.284293 0.509530 S\n0.605988 0.068586 0.394980 S\n0.394012 0.931414 0.605020 S\n0.488575 0.322669 0.832104 Cl\n0.511425 0.677331 0.167896 Cl\n0.680884 0.030102 0.136559 Cl\n0.319116 0.969898 0.863441 Cl\n0.138405 0.205354 0.252730 Cl\n0.861595 0.794646 0.747270 Cl\n0.024215 0.927415 0.327035 Cl\n0.975785 0.072585 0.672965 Cl\n0.751443 0.356501 0.335545 Cl\n0.248557 0.643499 0.664455 Cl\n",
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"elements": [
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],
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"density": 6.071313815649804,
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"formula_full": "In2 Hg14 S12 Cl10",
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}
]
}