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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220058

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-1220058
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 4
  • Element list: ['Re', 'S', 'O', 'F']
  • Chemical System: F-O-Re-S
  • Density: 4.109660074921145
  • Atomic Density: 0.04748714276320339
  • Unit Cell Volume: 673.8666118441644
  • Molar Volume: 12.681623718718253
  • Full Formula: Re6 S8 O16 F2
  • Reduced Formula: Re3S4O8F
  • Formula Anonymous: AB3C4D8
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -202.20512954
  • Final energy per atom: -6.318910298125
  • 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.