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  1. Third-Parties
  2. MatprojStructure
  3. mp-1203838

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-1203838
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 60
  • Number of elements: 4
  • Element list: ['Rb', 'Ti', 'H', 'F']
  • Chemical System: F-H-Rb-Ti
  • Density: 2.5768033581492533
  • Atomic Density: 0.06090265555034966
  • Unit Cell Volume: 985.1787160643033
  • Molar Volume: 9.888141503158845
  • Full Formula: Rb4 Ti8 H6 F42
  • Reduced Formula: Rb2Ti4H3F21
  • Formula Anonymous: A2B3C4D21
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -365.91676947
  • Final energy per atom: -6.0986128245
  • 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.