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  1. Third-Parties
  2. MatprojStructure
  3. mp-27575

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-27575
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 62
  • Number of elements: 3
  • Element list: ['Te', 'O', 'F']
  • Chemical System: F-O-Te
  • Density: 3.5522774861171773
  • Atomic Density: 0.0592128561443311
  • Unit Cell Volume: 1047.0699107787548
  • Molar Volume: 10.170326432694036
  • Full Formula: Te10 O8 F44
  • Reduced Formula: Te5(O2F11)2
  • Formula Anonymous: A4B5C22
  • Spacegroup Number: 88
  • Spacegroup Symbol: I4_1/a
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -291.90862183
  • Final energy per atom: -4.708203577903226
  • 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.