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  1. Third-Parties
  2. MatprojStructure
  3. mp-699453

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-699453
  • 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: 128
  • Number of elements: 4
  • Element list: ['Rb', 'As', 'H', 'O']
  • Chemical System: As-H-O-Rb
  • Density: 2.930869016512504
  • Atomic Density: 0.07666752700724211
  • Unit Cell Volume: 1669.5464820185077
  • Molar Volume: 7.854878062561143
  • Full Formula: Rb8 As16 H40 O64
  • Reduced Formula: RbAs2H5O8
  • Formula Anonymous: AB2C5D8
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -736.2411991099999
  • Final energy per atom: -5.751884368046874
  • 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.