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{
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{
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"structure_string": "Sb6 W2 C12 O12 F34\n1.0\n16.911036 0.000000 0.000000\n0.000000 8.330289 0.000000\n0.000000 3.070879 7.809943\nSb W C O F\n6 2 12 12 34\ndirect\n0.685793 0.866737 0.119135 Sb\n0.236173 0.507229 0.430010 Sb\n0.185793 0.133263 0.880865 Sb\n0.736173 0.492771 0.569990 Sb\n0.493993 0.347867 0.099973 Sb\n0.993993 0.652133 0.900027 Sb\n0.448242 0.820117 0.736401 W\n0.948242 0.179883 0.263599 W\n0.366817 0.927979 0.537561 C\n0.570421 0.898912 0.677076 C\n0.978546 0.283279 0.457190 C\n0.070421 0.101088 0.322924 C\n0.948368 0.909836 0.341358 C\n0.835223 0.304423 0.173430 C\n0.928132 0.128218 0.031289 C\n0.448368 0.090164 0.658642 C\n0.335223 0.695577 0.826570 C\n0.478546 0.716721 0.542810 C\n0.866817 0.072021 0.462439 C\n0.428132 0.871782 0.968711 C\n0.634344 0.940078 0.642158 O\n0.452178 0.236857 0.619808 O\n0.273798 0.640168 0.869316 O\n0.134344 0.059922 0.357842 O\n0.321605 0.976822 0.428460 O\n0.414730 0.900100 0.089110 O\n0.773798 0.359832 0.130684 O\n0.996320 0.338307 0.558255 O\n0.952178 0.763143 0.380192 O\n0.914730 0.099900 0.910890 O\n0.496320 0.661693 0.441745 O\n0.821605 0.023178 0.571540 O\n0.787179 0.700636 0.555308 F\n0.142295 0.042340 0.722300 F\n0.281794 0.637983 0.215041 F\n0.389794 0.340684 0.016530 F\n0.454613 0.486319 0.219828 F\n0.322428 0.556358 0.553819 F\n0.644267 0.560664 0.661039 F\n0.502328 0.581582 0.892866 F\n0.679796 0.075881 0.926973 F\n0.099405 0.613256 0.848006 F\n0.029805 0.760513 0.050828 F\n0.689416 0.635740 0.327980 F\n0.822428 0.443642 0.446181 F\n0.287179 0.299364 0.444692 F\n0.599405 0.386744 0.151994 F\n0.289592 0.083934 0.819229 F\n0.144267 0.439336 0.338961 F\n0.189416 0.364260 0.672020 F\n0.529805 0.239487 0.949172 F\n0.002328 0.418418 0.107134 F\n0.179796 0.924119 0.073027 F\n0.889794 0.659316 0.983470 F\n0.781794 0.362017 0.784959 F\n0.642295 0.957660 0.277700 F\n0.729335 0.739866 0.993661 F\n0.679064 0.308073 0.543269 F\n0.082088 0.201564 0.923479 F\n0.179064 0.691927 0.456731 F\n0.789592 0.916066 0.180771 F\n0.482798 0.136652 0.292888 F\n0.982798 0.863348 0.707112 F\n0.582088 0.798436 0.076521 F\n0.954613 0.513681 0.780172 F\n0.229335 0.260134 0.006339 F\n",
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"energy_uncorrected": -381.27422003,
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"updated_at": "2021-11-28T01:38:41.428000Z",
"spacegroup": 4
},
{
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"created_at": "2022-09-04T14:48:16.354112Z",
"structure_string": "Si6 Mo2\n1.0\n2.605142 -4.512239 0.000000\n2.605142 4.512239 0.000000\n0.000000 0.000000 4.840019\nSi Mo\n6 2\ndirect\n0.825421 0.174579 0.750000 Si\n0.349158 0.174579 0.750000 Si\n0.825421 0.650842 0.750000 Si\n0.174579 0.825421 0.250000 Si\n0.650842 0.825421 0.250000 Si\n0.174579 0.349158 0.250000 Si\n0.666667 0.333333 0.250000 Mo\n0.333333 0.666667 0.750000 Mo\n",
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"formula_full": "Si6 Mo2",
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},
{
"id": "mp-1211199",
"created_at": "2022-09-04T14:48:16.406773Z",
"structure_string": "Li8 Al6 Cu12\n1.0\n2.451813 -4.246665 0.000000\n2.451813 4.246665 0.000000\n0.000000 0.000000 17.428545\nLi Al Cu\n8 6 12\ndirect\n0.333333 0.666667 0.521324 Li\n0.666667 0.333333 0.478676 Li\n0.666667 0.333333 0.021324 Li\n0.333333 0.666667 0.978676 Li\n0.333333 0.666667 0.250000 Li\n0.666667 0.333333 0.750000 Li\n0.000000 0.000000 0.250000 Li\n0.000000 0.000000 0.750000 Li\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.333333 0.666667 0.671392 Al\n0.666667 0.333333 0.328608 Al\n0.666667 0.333333 0.171392 Al\n0.333333 0.666667 0.828608 Al\n0.168527 0.337054 0.117059 Cu\n0.831473 0.662946 0.882942 Cu\n0.662946 0.831473 0.117059 Cu\n0.831473 0.662946 0.617058 Cu\n0.337054 0.168527 0.882942 Cu\n0.168527 0.337054 0.382941 Cu\n0.168527 0.831473 0.117059 Cu\n0.337054 0.168527 0.617058 Cu\n0.831473 0.168527 0.882942 Cu\n0.662946 0.831473 0.382941 Cu\n0.831473 0.168527 0.617058 Cu\n0.168527 0.831473 0.382941 Cu\n",
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}
]
}