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  1. Third-Parties
  2. MatprojStructure
  3. mp-540553

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-540553
  • 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: 3
  • Element list: ['Te', 'O', 'F']
  • Chemical System: F-O-Te
  • Density: 3.8272504527397877
  • Atomic Density: 0.06356510388475028
  • Unit Cell Volume: 676.4717961912432
  • Molar Volume: 9.473972969380696
  • Full Formula: Te7 O6 F30
  • Reduced Formula: Te7(OF5)6
  • Formula Anonymous: A6B7C30
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -203.01162537
  • Final energy per atom: -4.72120059
  • 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.