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  1. Third-Parties
  2. MatprojStructure
  3. mp-776093

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-776093
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['Cs', 'As', 'O']
  • Chemical System: As-Cs-O
  • Density: 4.161430158599983
  • Atomic Density: 0.04898014953671325
  • Unit Cell Volume: 408.3286839499934
  • Molar Volume: 12.295064055462065
  • Full Formula: Cs4 As4 O12
  • Reduced Formula: CsAsO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 57
  • Spacegroup Symbol: Pbcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -119.46105029
  • Final energy per atom: -5.9730525145
  • 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.