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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196087

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1196087
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 34
  • Number of elements: 6
  • Element list: ['Li', 'H', 'Au', 'C', 'S', 'O']
  • Chemical System: Au-C-H-Li-O-S
  • Density: 2.1250683488460442
  • Atomic Density: 0.07446770831270895
  • Unit Cell Volume: 456.5737387435814
  • Molar Volume: 8.086915653039155
  • Full Formula: Li1 H12 Au1 C4 S4 O12
  • Reduced Formula: LiH12AuC4(SO3)4
  • Formula Anonymous: ABC4D4E12F12
  • Spacegroup Number: 82
  • Spacegroup Symbol: I-4
  • Crystal System: tetragonal
  • Pointgroup: -4

Thermodynamics:

  • Final energy: -191.91422891
  • Final energy per atom: -5.644536144411765
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.