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  1. Third-Parties
  2. MatprojStructure
  3. mp-2068

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-2068
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 8
  • Number of elements: 2
  • Element list: ['Rh', 'F']
  • Chemical System: F-Rh
  • Density: 5.29426304181696
  • Atomic Density: 0.0797564872577789
  • Unit Cell Volume: 100.30532029505518
  • Molar Volume: 7.550659472421338
  • Full Formula: Rh2 F6
  • Reduced Formula: RhF3
  • Formula Anonymous: AB3
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -40.8959882
  • Final energy per atom: -5.111998525
  • 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.