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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204544

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-1204544
  • 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: 36
  • Number of elements: 4
  • Element list: ['In', 'Te', 'O', 'F']
  • Chemical System: F-In-O-Te
  • Density: 5.621414686645734
  • Atomic Density: 0.06496116158863258
  • Unit Cell Volume: 554.1772825426134
  • Molar Volume: 9.27037111518308
  • Full Formula: In4 Te8 O20 F4
  • Reduced Formula: InTe2O5F
  • Formula Anonymous: ABC2D5
  • Spacegroup Number: 20
  • Spacegroup Symbol: C222_1
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -207.53514836
  • Final energy per atom: -5.764865232222222
  • 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.