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  1. Third-Parties
  2. MatprojStructure
  3. mp-560028

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-560028
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 43
  • Number of elements: 4
  • Element list: ['U', 'Te', 'O', 'F']
  • Chemical System: F-O-Te-U
  • Density: 3.2679446374418033
  • Atomic Density: 0.05068593819977678
  • Unit Cell Volume: 848.3615284088669
  • Molar Volume: 11.881284975457989
  • Full Formula: U1 Te6 O6 F30
  • Reduced Formula: UTe6(OF5)6
  • Formula Anonymous: AB6C6D30
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -220.92797634
  • Final energy per atom: -5.1378599148837205
  • 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.