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  1. Third-Parties
  2. MatprojStructure
  3. mp-13551

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-13551
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 4
  • Element list: ['Sc', 'Te', 'O', 'F']
  • Chemical System: F-O-Sc-Te
  • Density: 4.3469776434950544
  • Atomic Density: 0.06556753011812314
  • Unit Cell Volume: 732.0696679213878
  • Molar Volume: 9.184638721560528
  • Full Formula: Sc8 Te8 O24 F8
  • Reduced Formula: ScTeO3F
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 52
  • Spacegroup Symbol: Pnna
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -346.20960805000004
  • Final energy per atom: -7.212700167708334
  • 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.