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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217779

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-1217779
  • 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: 20
  • Number of elements: 4
  • Element list: ['Ta', 'Bi', 'O', 'F']
  • Chemical System: Bi-F-O-Ta
  • Density: 7.775319779989473
  • Atomic Density: 0.06826950359121171
  • Unit Cell Volume: 292.9565757465766
  • Molar Volume: 8.821128678567433
  • Full Formula: Ta4 Bi2 O12 F2
  • Reduced Formula: Ta2BiO6F
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 74
  • Spacegroup Symbol: Imma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -177.61647045
  • Final energy per atom: -8.8808235225
  • 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.