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  1. Third-Parties
  2. MatprojStructure
  3. mp-1226119

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-1226119
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 5
  • Element list: ['Cs', 'Ga', 'As', 'H', 'O']
  • Chemical System: As-Cs-Ga-H-O
  • Density: 3.742727303693096
  • Atomic Density: 0.07941105454788205
  • Unit Cell Volume: 554.0790290534369
  • Molar Volume: 7.5835043298271065
  • Full Formula: Cs2 Ga2 As6 H10 O24
  • Reduced Formula: CsGaAs3H5O12
  • Formula Anonymous: ABC3D5E12
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -262.05858506000004
  • Final energy per atom: -5.955876933181819
  • 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.