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  1. Third-Parties
  2. MatprojStructure
  3. mp-1025374

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-1025374
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 7
  • Number of elements: 2
  • Element list: ['Re', 'F']
  • Chemical System: F-Re
  • Density: 3.7252477301955085
  • Atomic Density: 0.05231149683182349
  • Unit Cell Volume: 133.81379665935268
  • Molar Volume: 11.51207884446628
  • Full Formula: Re1 F6
  • Reduced Formula: ReF6
  • Formula Anonymous: AB6
  • Spacegroup Number: 229
  • Spacegroup Symbol: Im-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -41.25994554
  • Final energy per atom: -5.8942779342857134
  • 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.