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  1. Third-Parties
  2. MatprojStructure
  3. mp-555704

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-555704
  • 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: 48
  • Number of elements: 3
  • Element list: ['Re', 'O', 'F']
  • Chemical System: F-O-Re
  • Density: 4.409581756388145
  • Atomic Density: 0.05789612925651344
  • Unit Cell Volume: 829.0709692755478
  • Molar Volume: 10.401629327097885
  • Full Formula: Re8 O16 F24
  • Reduced Formula: ReO2F3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 64
  • Spacegroup Symbol: Cmce
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -339.83140769
  • Final energy per atom: -7.0798209935416665
  • 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.