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S\n0.857514 0.352905 0.860317 S\n0.857515 0.139684 0.492586 S\n0.857517 0.507413 0.647099 S\n0.312211 0.506572 0.126402 S\n0.312209 0.873601 0.380172 S\n0.312208 0.619826 0.493428 S\n0.687789 0.493428 0.873598 S\n0.687791 0.126399 0.619828 S\n0.687792 0.380174 0.506572 S\n0.832360 0.147827 0.937085 S\n0.832360 0.062916 0.210743 S\n0.832360 0.789257 0.852173 S\n0.167639 0.852173 0.062915 S\n0.167640 0.937084 0.789257 S\n0.167639 0.210743 0.147827 S\n0.368659 0.545552 0.744848 S\n0.368659 0.255153 0.800706 S\n0.368655 0.199295 0.454446 S\n0.631341 0.454448 0.255152 S\n0.631340 0.744847 0.199294 S\n0.631345 0.800705 0.545554 S\n0.653650 0.007887 0.821960 S\n0.653649 0.178041 0.185928 S\n0.653649 0.814072 0.992112 S\n0.346350 0.992113 0.178040 S\n0.346351 0.821959 0.814072 S\n0.346351 0.185928 0.007888 S\n0.107431 0.677305 0.238121 O\n0.107429 0.761881 0.439188 O\n0.107433 0.560815 0.322694 O\n0.892569 0.322695 0.761879 O\n0.892571 0.238119 0.560812 O\n0.892567 0.439185 0.677306 O\n0.157861 0.415467 0.774879 O\n0.157857 0.225119 0.640588 O\n0.157861 0.359412 0.584533 O\n0.842139 0.584533 0.225121 O\n0.842143 0.774881 0.359412 O\n0.842139 0.640588 0.415467 O\n0.858123 0.081231 0.970656 O\n0.858124 0.029344 0.110575 O\n0.858124 0.889425 0.918769 O\n0.141877 0.918769 0.029344 O\n0.141876 0.970656 0.889425 O\n0.141876 0.110575 0.081231 O\n0.218792 0.558051 0.777919 O\n0.218791 0.222082 0.780131 O\n0.218793 0.219868 0.441951 O\n0.781208 0.441949 0.222081 O\n0.781209 0.777918 0.219869 O\n0.781207 0.780132 0.558049 O\n0.332116 0.575806 0.226363 O\n0.332120 0.773640 0.349444 O\n0.332120 0.650555 0.424194 O\n0.667884 0.424194 0.773637 O\n0.667880 0.226360 0.650556 O\n0.667880 0.349445 0.575806 O\n0.628430 0.978510 0.891949 O\n0.628431 0.108051 0.086561 O\n0.628430 0.913439 0.021490 O\n0.371570 0.021490 0.108051 O\n0.371569 0.891949 0.913439 O\n0.371570 0.086561 0.978510 O\n0.692529 0.115869 0.886565 O\n0.692529 0.113434 0.229304 O\n0.692529 0.770696 0.884131 O\n0.307471 0.884131 0.113435 O\n0.307471 0.886566 0.770696 O\n0.307471 0.229304 0.115869 O\n0.760595 0.961112 0.765328 O\n0.760595 0.234672 0.195784 O\n0.760595 0.804216 0.038888 O\n0.239405 0.038888 0.234672 O\n0.239405 0.765328 0.804216 O\n0.239405 0.195784 0.961112 O\n0.536563 0.011079 0.781770 O\n0.536562 0.218230 0.229309 O\n0.536563 0.770691 0.988920 O\n0.463437 0.988921 0.218230 O\n0.463438 0.781770 0.770691 O\n0.463437 0.229309 0.011080 O\n0.364806 0.570093 0.675255 O\n0.364806 0.324748 0.894837 O\n0.364806 0.105164 0.429913 O\n0.635194 0.429907 0.324745 O\n0.635194 0.675252 0.105163 O\n0.635194 0.894836 0.570087 O\n0.254537 0.537802 0.913319 O\n0.254538 0.086683 0.624481 O\n0.254538 0.375517 0.462199 O\n0.745463 0.462198 0.086681 O\n0.745462 0.913317 0.375519 O\n0.745462 0.624483 0.537801 O\n0.276784 0.418098 0.109576 O\n0.276783 0.890419 0.308520 O\n0.276784 0.691479 0.581900 O\n0.723216 0.581902 0.890424 O\n0.723217 0.109581 0.691480 O\n0.723216 0.308521 0.418100 O\n0.252162 0.692879 0.132494 O\n0.252164 0.867504 0.560383 O\n0.252163 0.439615 0.307123 O\n0.747838 0.307121 0.867506 O\n0.747836 0.132496 0.439617 O\n0.747837 0.560385 0.692877 O\n0.179664 0.539644 0.098932 O\n0.179665 0.901064 0.440709 O\n0.179666 0.559289 0.460357 O\n0.820336 0.460356 0.901068 O\n0.820335 0.098936 0.559291 O\n0.820334 0.440711 0.539643 O\n0.414143 0.513828 0.074242 O\n0.414145 0.925753 0.439585 O\n0.414145 0.560413 0.486170 O\n0.585857 0.486172 0.925758 O\n0.585855 0.074247 0.560415 O\n0.585855 0.439587 0.513830 O\n0.029114 0.641999 0.091318 O\n0.029113 0.908679 0.550678 O\n0.029115 0.449316 0.358002 O\n0.970886 0.358001 0.908682 O\n0.970887 0.091321 0.449322 O\n0.970885 0.550684 0.641998 O\n0.040146 0.553705 0.864194 O\n0.040146 0.135810 0.689510 O\n0.040146 0.310490 0.446297 O\n0.959854 0.446295 0.135806 O\n0.959854 0.864190 0.310490 O\n0.959854 0.689510 0.553703 O\n0.392174 0.444253 0.705691 O\n0.392176 0.294310 0.738564 O\n0.392178 0.261437 0.555746 O\n0.607826 0.555747 0.294309 O\n0.607824 0.705690 0.261436 O\n0.607822 0.738563 0.444254 O\n0.924730 0.134664 0.869230 O\n0.924730 0.130770 0.265434 O\n0.924730 0.734566 0.865336 O\n0.075270 0.865336 0.130770 O\n0.075270 0.869230 0.734566 O\n0.075270 0.265434 0.134664 O\n0.808562 0.238595 0.008933 O\n0.808562 0.991067 0.229661 O\n0.808562 0.770338 0.761405 O\n0.191438 0.761405 0.991067 O\n0.191438 0.008933 0.770339 O\n0.191438 0.229662 0.238595 O\n0.446485 0.597588 0.823098 O\n0.446486 0.176904 0.774486 O\n0.446486 0.225514 0.402418 O\n0.553515 0.402412 0.176902 O\n0.553514 0.823096 0.225514 O\n0.553514 0.774486 0.597582 O\n",
"nsites": 180,
"nelements": 4,
"elements": [
"Ag",
"Sn",
"S",
"O"
],
"chemical_system": "Ag-O-S-Sn",
"density": 3.239771387457854,
"density_atomic": 0.06783665216084928,
"volume": 2653.432831166215,
"volume_molar": 8.877414448049034,
"formula_full": "Ag12 Sn6 S36 O126",
"formula_reduced": "Ag2Sn(S2O7)3",
"formula_anonymous": "AB2C6D21",
"energy": -1121.5633885900002,
"energy_per_atom": -6.23090771438889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1035.00138859,
"band_gap": 2.4704,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.003884,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:51.023000Z",
"spacegroup": 147
}
]
}