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  1. Third-Parties
  2. MatprojStructure
  3. mp-863420

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-863420
  • 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: 84
  • Number of elements: 4
  • Element list: ['Rb', 'H', 'C', 'O']
  • Chemical System: C-H-O-Rb
  • Density: 2.8936953647919776
  • Atomic Density: 0.06752748357811601
  • Unit Cell Volume: 1243.937957540333
  • Molar Volume: 8.91805890120808
  • Full Formula: Rb16 H16 C12 O40
  • Reduced Formula: Rb4H4C3O10
  • Formula Anonymous: A3B4C4D10
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -534.61039097
  • Final energy per atom: -6.364409416309524
  • 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.