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{
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{
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{
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},
{
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"structure_string": "C4\n1.0\n1.233876 -2.137136 0.000000\n1.233876 2.137136 0.000000\n0.000000 0.000000 25.829221\nC\n4\ndirect\n0.000000 0.000000 0.571190 C\n0.000000 0.000000 0.428810 C\n0.333333 0.666667 0.428819 C\n0.666667 0.333333 0.571181 C\n",
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{
"id": "mp-33880",
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"structure_string": "Sr1 Ga2 Te4\n1.0\n-4.201587 4.201587 3.376066\n4.201587 -4.201587 3.376066\n4.201587 4.201587 -3.376066\nSr Ga Te\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.500000 0.500000 Ga\n0.500000 0.000000 0.500000 Ga\n0.075522 0.575522 0.151043 Te\n0.575522 0.424478 0.500000 Te\n0.924478 0.075522 0.500000 Te\n0.424478 0.924478 0.848957 Te\n",
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{
"id": "mp-1112626",
"created_at": "2022-09-04T14:48:11.430321Z",
"structure_string": "Cs2 K1 Au1 Cl6\n1.0\n0.000000 5.542724 5.542724\n5.542724 0.000000 5.542724\n5.542724 5.542724 0.000000\nCs K Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Au\n0.772266 0.227734 0.227734 Cl\n0.227734 0.227734 0.772266 Cl\n0.227734 0.772266 0.772266 Cl\n0.227734 0.772266 0.227734 Cl\n0.772266 0.227734 0.772266 Cl\n0.772266 0.772266 0.227734 Cl\n",
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"elements": [
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"volume": 340.56479819747534,
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"formula_full": "Cs2 K1 Au1 Cl6",
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{
"id": "mp-1190698",
"created_at": "2022-09-04T14:43:15.954382Z",
"structure_string": "K4 Ba4 Sb4 Se12\n1.0\n9.389800 0.000000 0.000000\n0.000000 9.570646 0.000000\n0.000000 3.003921 9.096612\nK Ba Sb Se\n4 4 4 12\ndirect\n0.089370 0.585350 0.290137 K\n0.589370 0.414650 0.209863 K\n0.910630 0.414650 0.709863 K\n0.410630 0.585350 0.790137 K\n0.713296 0.917058 0.036473 Ba\n0.213296 0.082942 0.463527 Ba\n0.286704 0.082942 0.963527 Ba\n0.786704 0.917058 0.536473 Ba\n0.451546 0.752225 0.373631 Sb\n0.951546 0.247775 0.126369 Sb\n0.548454 0.247775 0.626369 Sb\n0.048454 0.752225 0.873631 Sb\n0.204866 0.359752 0.091482 Se\n0.704866 0.640248 0.408518 Se\n0.795134 0.640248 0.908518 Se\n0.295134 0.359752 0.591482 Se\n0.016367 0.964061 0.222827 Se\n0.516367 0.035939 0.277173 Se\n0.983633 0.035939 0.777173 Se\n0.483633 0.964061 0.722827 Se\n0.396172 0.729481 0.117214 Se\n0.896172 0.270519 0.382786 Se\n0.603828 0.270519 0.882786 Se\n0.103828 0.729481 0.617214 Se\n",
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"formula_full": "K4 Ba4 Sb4 Se12",
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{
"id": "mp-1065844",
"created_at": "2022-09-04T14:41:02.383682Z",
"structure_string": "Rb2 S2\n1.0\n4.703657 0.000000 0.000000\n0.000000 4.826817 0.000000\n0.000000 2.239103 6.001194\nRb S\n2 2\ndirect\n0.250000 0.385818 0.757351 Rb\n0.750000 0.614182 0.242649 Rb\n0.250000 0.066487 0.341166 S\n0.750000 0.933513 0.658834 S\n",
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{
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"structure_string": "Tl8 Ge4 Te20\n1.0\n8.496138 0.000000 0.000000\n0.000000 8.496138 0.000000\n0.000000 0.000000 15.100324\nTl Ge Te\n8 4 20\ndirect\n0.000000 0.000000 0.620872 Tl\n0.500000 0.500000 0.379128 Tl\n0.000000 0.000000 0.379128 Tl\n0.500000 0.500000 0.620872 Tl\n0.000000 0.000000 0.877632 Tl\n0.500000 0.500000 0.122368 Tl\n0.000000 0.000000 0.122368 Tl\n0.500000 0.500000 0.877632 Tl\n0.500000 0.000000 0.381621 Ge\n0.500000 0.000000 0.618379 Ge\n0.000000 0.500000 0.381621 Ge\n0.000000 0.500000 0.618379 Ge\n0.686587 0.186587 0.000000 Te\n0.313413 0.813413 0.000000 Te\n0.832893 0.332893 0.500000 Te\n0.167107 0.667107 0.500000 Te\n0.186587 0.313413 0.000000 Te\n0.813413 0.686587 0.000000 Te\n0.500000 0.000000 0.128019 Te\n0.500000 0.000000 0.871981 Te\n0.000000 0.500000 0.128019 Te\n0.000000 0.500000 0.871981 Te\n0.178091 0.321909 0.719912 Te\n0.821909 0.678091 0.719912 Te\n0.821909 0.678091 0.280088 Te\n0.178091 0.321909 0.280088 Te\n0.321909 0.821909 0.719912 Te\n0.678091 0.178091 0.719912 Te\n0.321909 0.821909 0.280088 Te\n0.678091 0.178091 0.280088 Te\n0.332893 0.167107 0.500000 Te\n0.667107 0.832893 0.500000 Te\n",
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{
"id": "mp-1209497",
"created_at": "2022-09-04T14:42:53.362654Z",
"structure_string": "Rb8 Si8 Se20\n1.0\n8.157453 8.142190 0.000000\n-8.157453 8.142190 0.000000\n0.000000 2.549228 9.231384\nRb Si Se\n8 8 20\ndirect\n0.290221 0.021256 0.620927 Rb\n0.709779 0.978744 0.379073 Rb\n0.978744 0.709779 0.879073 Rb\n0.021256 0.290221 0.120927 Rb\n0.559899 0.708632 0.872080 Rb\n0.440101 0.291368 0.127920 Rb\n0.291368 0.440101 0.627920 Rb\n0.708632 0.559899 0.372080 Rb\n0.639928 0.230546 0.616149 Si\n0.360072 0.769454 0.383851 Si\n0.769454 0.360072 0.883851 Si\n0.230546 0.639928 0.116149 Si\n0.766525 0.027518 0.899309 Si\n0.233475 0.972482 0.100691 Si\n0.972482 0.233475 0.600691 Si\n0.027518 0.766525 0.399309 Si\n0.744164 0.175946 0.038077 Se\n0.255836 0.824054 0.961923 Se\n0.824054 0.255836 0.461923 Se\n0.175946 0.744164 0.538077 Se\n0.615205 0.045247 0.765071 Se\n0.384795 0.954753 0.234929 Se\n0.954753 0.384795 0.734929 Se\n0.045247 0.615205 0.265071 Se\n0.618371 0.381629 0.750000 Se\n0.381629 0.618371 0.250000 Se\n0.492071 0.746651 0.524739 Se\n0.507929 0.253349 0.475261 Se\n0.253349 0.507929 0.975261 Se\n0.746651 0.492071 0.024739 Se\n0.742448 0.855944 0.048493 Se\n0.257552 0.144056 0.951507 Se\n0.144056 0.257552 0.451507 Se\n0.855944 0.742448 0.548493 Se\n0.952424 0.047576 0.750000 Se\n0.047576 0.952424 0.250000 Se\n",
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{
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"structure_string": "La2 Cu1 Se2 O1\n1.0\n3.775249 0.000000 0.000000\n0.000000 3.775249 0.000000\n0.000000 0.000000 14.340376\nLa Cu Se O\n2 1 2 1\ndirect\n0.500000 0.500000 0.647642 La\n0.500000 0.500000 0.352358 La\n0.500000 0.500000 0.000000 Cu\n0.500000 0.500000 0.155086 Se\n0.500000 0.500000 0.844914 Se\n0.500000 0.500000 0.500000 O\n",
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{
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"structure_string": "Bi2 Te3\n1.0\n9.983149 -2.228622 0.000000\n9.983149 2.228622 0.000000\n9.485635 0.000000 3.827891\nBi Te\n2 3\ndirect\n0.295315 0.295315 0.295315 Bi\n0.704685 0.704685 0.704685 Bi\n0.098023 0.098023 0.098023 Te\n0.500000 0.500000 0.500000 Te\n0.901977 0.901977 0.901977 Te\n",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.714000Z",
"spacegroup": 166
}
]
}