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  1. Third-Parties
  2. MatprojStructure
  3. mp-694996

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-694996
  • 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: 18
  • Number of elements: 5
  • Element list: ['Rb', 'Ni', 'W', 'O', 'F']
  • Chemical System: F-Ni-O-Rb-W
  • Density: 4.954579342903529
  • Atomic Density: 0.062017993301776216
  • Unit Cell Volume: 290.2383492547553
  • Molar Volume: 9.710312184234319
  • Full Formula: Rb2 Ni2 W2 O6 F6
  • Reduced Formula: RbNiW(OF)3
  • Formula Anonymous: ABCD3E3
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -122.82182843
  • Final energy per atom: -6.823434912777778
  • 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.