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  1. Third-Parties
  2. MatprojStructure
  3. mp-1222256

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-1222256
  • 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: 150
  • Number of elements: 4
  • Element list: ['Rb', 'Mo', 'O', 'F']
  • Chemical System: F-Mo-O-Rb
  • Density: 3.2884187907831555
  • Atomic Density: 0.048106720277791434
  • Unit Cell Volume: 3118.067478594
  • Molar Volume: 12.518294170180903
  • Full Formula: Rb30 Mo18 O18 F84
  • Reduced Formula: Rb5Mo3O3F14
  • Formula Anonymous: A3B3C5D14
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -898.38663151
  • Final energy per atom: -5.9892442100666665
  • 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.