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{
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"structure_string": "Li4 Al4 Si8 O24\n1.0\n0.000000 5.188713 0.023598\n8.498787 0.000000 0.000000\n0.000000 -1.982730 -8.933243\nLi Al Si O\n4 4 8 24\ndirect\n0.022010 0.012538 0.252675 Li\n0.477990 0.512538 0.747324 Li\n0.977989 0.987463 0.747324 Li\n0.522010 0.487463 0.252675 Li\n0.026284 0.654716 0.249924 Al\n0.473715 0.154716 0.750075 Al\n0.973715 0.345284 0.750075 Al\n0.526284 0.845284 0.249924 Al\n0.813278 0.658158 0.549859 Si\n0.686721 0.158157 0.450141 Si\n0.313278 0.841843 0.549859 Si\n0.186721 0.341843 0.450141 Si\n0.228902 0.657193 0.952377 Si\n0.728901 0.842807 0.952377 Si\n0.771098 0.342807 0.047623 Si\n0.271098 0.157193 0.047623 Si\n0.248725 0.830347 0.363411 O\n0.376263 0.211441 0.391891 O\n0.123737 0.711441 0.608108 O\n0.769082 0.491530 0.624452 O\n0.730916 0.991530 0.375547 O\n0.230917 0.508470 0.375547 O\n0.269083 0.008470 0.624453 O\n0.748724 0.669653 0.363411 O\n0.751275 0.169653 0.636589 O\n0.251275 0.330347 0.636589 O\n0.012517 0.217378 0.109733 O\n0.197622 0.170261 0.861725 O\n0.987483 0.782623 0.890267 O\n0.512516 0.282623 0.109733 O\n0.329783 0.984738 0.117761 O\n0.170216 0.484738 0.882239 O\n0.670216 0.015262 0.882239 O\n0.829783 0.515262 0.117761 O\n0.876262 0.288560 0.391891 O\n0.302377 0.670261 0.138275 O\n0.802377 0.829740 0.138275 O\n0.697622 0.329740 0.861725 O\n0.487483 0.717378 0.890267 O\n0.623736 0.788560 0.608108 O\n",
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{
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{
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"structure_string": "Na2 Ga2 Si4 O12\n1.0\n5.190564 -0.002452 1.190269\n1.353708 6.347134 0.620754\n-0.001952 0.008093 6.519502\nNa Ga Si O\n2 2 4 12\ndirect\n0.250000 0.700015 0.299984 Na\n0.750000 0.299984 0.700015 Na\n0.250000 0.097517 0.902483 Ga\n0.750000 0.902482 0.097517 Ga\n0.733412 0.800091 0.616989 Si\n0.266588 0.199908 0.383010 Si\n0.766588 0.383010 0.199908 Si\n0.233413 0.616989 0.800091 Si\n0.365118 0.032919 0.191398 O\n0.134883 0.808601 0.967081 O\n0.492461 0.342201 0.364051 O\n0.694149 0.618625 0.098854 O\n0.805851 0.901145 0.381374 O\n0.305851 0.381374 0.901145 O\n0.194149 0.098854 0.618625 O\n0.992461 0.364051 0.342201 O\n0.507539 0.657798 0.635948 O\n0.007539 0.635948 0.657798 O\n0.865117 0.191398 0.032919 O\n0.634883 0.967081 0.808601 O\n",
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"structure_string": "Li4 Al4 Ge8 O24\n1.0\n9.430748 0.000000 -3.573633\n0.000000 8.407234 0.000000\n-0.043248 0.000000 5.418456\nLi Al Ge O\n4 4 8 24\ndirect\n0.991406 0.784482 0.695461 Li\n0.491406 0.715517 0.195460 Li\n0.008594 0.215517 0.304541 Li\n0.508594 0.284483 0.804541 Li\n0.005753 0.585297 0.255906 Al\n0.505753 0.914702 0.755907 Al\n0.994247 0.414703 0.744095 Al\n0.494247 0.085297 0.244095 Al\n0.277653 0.384439 0.223229 Ge\n0.777653 0.115560 0.723229 Ge\n0.222347 0.884439 0.276772 Ge\n0.722347 0.615560 0.776773 Ge\n0.790725 0.916280 0.218297 Ge\n0.709276 0.416280 0.281704 Ge\n0.209275 0.083720 0.781704 Ge\n0.290724 0.583720 0.718297 Ge\n0.144380 0.923652 0.930518 O\n0.680609 0.816723 0.804434 O\n0.180609 0.683276 0.304433 O\n0.088074 0.398668 0.126037 O\n0.588074 0.101332 0.626037 O\n0.911926 0.601332 0.873965 O\n0.411926 0.898667 0.373964 O\n0.355620 0.423652 0.569483 O\n0.855620 0.076348 0.069483 O\n0.644380 0.576347 0.430518 O\n0.395246 0.754299 0.804736 O\n0.103259 0.572051 0.650216 O\n0.604754 0.245700 0.195265 O\n0.104754 0.254299 0.695265 O\n0.359905 0.509877 0.060573 O\n0.859905 0.990122 0.560574 O\n0.640095 0.490122 0.939428 O\n0.140095 0.009878 0.439427 O\n0.819391 0.316723 0.695568 O\n0.603259 0.927948 0.150216 O\n0.896741 0.427948 0.349786 O\n0.396741 0.072051 0.849786 O\n0.895246 0.745700 0.304736 O\n0.319391 0.183276 0.195567 O\n",
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"id": "jvasp-105634",
"created_at": "2022-09-04T14:35:59.121037Z",
"updated_at": "2022-09-04T14:35:59.121046Z",
"structure_string": "K2 Ir1 Au1 F6\n1.0\n5.399761 -0.000000 3.117553\n1.799921 5.090943 3.117553\n-0.000000 0.000000 6.235107\nK Ir Au F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 Au\n0.768485 0.231515 0.231514 F\n0.231515 0.231515 0.768486 F\n0.231515 0.768485 0.768485 F\n0.231515 0.768485 0.231514 F\n0.768485 0.231515 0.768485 F\n0.768485 0.768485 0.231514 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Ir",
"Au",
"F"
],
"chemical_system": "Au-F-Ir-K",
"density": 5.632296006177915,
"density_atomic": 0.05834226920203655,
"volume": 171.40231493859912,
"volume_molar": 10.322088671500946,
"formula_full": "K2 Ir1 Au1 F6",
"formula_reduced": "K2IrAuF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0959876365,
"spacegroup": 225
}
]
}