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  1. Third-Parties
  2. MatprojStructure
  3. mp-554206

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-554206
  • 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: 13
  • Number of elements: 4
  • Element list: ['Cs', 'Al', 'As', 'O']
  • Chemical System: Al-As-Cs-O
  • Density: 3.7781605497759223
  • Atomic Density: 0.05085580964404254
  • Unit Cell Volume: 255.62467869436176
  • Molar Volume: 11.84159843713246
  • Full Formula: Cs2 Al2 As2 O7
  • Reduced Formula: Cs2Al2As2O7
  • Formula Anonymous: A2B2C2D7
  • Spacegroup Number: 44
  • Spacegroup Symbol: Imm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -85.79411198
  • Final energy per atom: -6.599547075384615
  • 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.