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  1. Third-Parties
  2. MatprojStructure
  3. mp-21208

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-21208
  • 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: 12
  • Number of elements: 2
  • Element list: ['Rh', 'F']
  • Chemical System: F-Rh
  • Density: 4.997458884188938
  • Atomic Density: 0.07528522150673095
  • Unit Cell Volume: 159.39383267839796
  • Molar Volume: 7.999100805543337
  • Full Formula: Rh3 F9
  • Reduced Formula: RhF3
  • Formula Anonymous: AB3
  • Spacegroup Number: 150
  • Spacegroup Symbol: P321
  • Crystal System: trigonal
  • Pointgroup: 321

Thermodynamics:

  • Final energy: -60.07655308
  • Final energy per atom: -5.006379423333333
  • 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.