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  1. Third-Parties
  2. MatprojStructure
  3. mp-572441

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-572441
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 3
  • Element list: ['Cs', 'Au', 'O']
  • Chemical System: Au-Cs-O
  • Density: 5.656862904085029
  • Atomic Density: 0.03256404321455471
  • Unit Cell Volume: 2211.0276517450125
  • Molar Volume: 18.493221865362116
  • Full Formula: Cs36 Au12 O24
  • Reduced Formula: Cs3AuO2
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -277.85334439
  • Final energy per atom: -3.859074227638889
  • 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.