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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-604583
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 152
  • Number of elements: 5
  • Element list: ['Rb', 'H', 'C', 'S', 'O']
  • Chemical System: C-H-O-Rb-S
  • Density: 1.9254437745765987
  • Atomic Density: 0.0768584962272029
  • Unit Cell Volume: 1977.6603428548724
  • Molar Volume: 7.8353611579880935
  • Full Formula: Rb8 H40 C56 S8 O40
  • Reduced Formula: RbH5C7SO5
  • Formula Anonymous: ABC5D5E7
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -1015.19261816
  • Final energy per atom: -6.678898803684211
  • 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.