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  1. Third-Parties
  2. MatprojStructure
  3. mp-540784

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-540784
  • 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: 21
  • Number of elements: 3
  • Element list: ['Rb', 'Ti', 'O']
  • Chemical System: O-Rb-Ti
  • Density: 3.9276625277795727
  • Atomic Density: 0.07456679895915765
  • Unit Cell Volume: 281.62667960981264
  • Molar Volume: 8.07616907800816
  • Full Formula: Rb2 Ti6 O13
  • Reduced Formula: Rb2Ti6O13
  • Formula Anonymous: A2B6C13
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -183.63158114
  • Final energy per atom: -8.744361006666667
  • 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.