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  1. Third-Parties
  2. MatprojStructure
  3. mp-1212165

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-1212165
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 54
  • Number of elements: 4
  • Element list: ['Re', 'Se', 'O', 'F']
  • Chemical System: F-O-Re-Se
  • Density: 5.639268741528635
  • Atomic Density: 0.04642912948137154
  • Unit Cell Volume: 1163.0629435269957
  • Molar Volume: 12.970608812332406
  • Full Formula: Re12 Se16 O14 F12
  • Reduced Formula: Re6Se8O7F6
  • Formula Anonymous: A6B6C7D8
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -342.83932569
  • Final energy per atom: -6.348876401666667
  • 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.