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  1. Third-Parties
  2. MatprojStructure
  3. mp-27265

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-27265
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 3
  • Element list: ['Au', 'Cl', 'O']
  • Chemical System: Au-Cl-O
  • Density: 6.689234810328492
  • Atomic Density: 0.048647871513883306
  • Unit Cell Volume: 370.00591063605106
  • Molar Volume: 12.379042643790447
  • Full Formula: Au6 Cl6 O6
  • Reduced Formula: AuClO
  • Formula Anonymous: ABC
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -71.19799099
  • Final energy per atom: -3.9554439438888886
  • 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.