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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217858

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-1217858
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 4
  • Element list: ['Ta', 'Ti', 'Tl', 'O']
  • Chemical System: O-Ta-Ti-Tl
  • Density: 7.111248683781152
  • Atomic Density: 0.06675813372665615
  • Unit Cell Volume: 479.3423394821862
  • Molar Volume: 9.020834501841971
  • Full Formula: Ta4 Ti4 Tl4 O20
  • Reduced Formula: TaTiTlO5
  • Formula Anonymous: ABCD5
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -283.23907738
  • Final energy per atom: -8.851221168125
  • 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.