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  1. Third-Parties
  2. MatprojStructure
  3. mp-1218099

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-1218099
  • 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: 27
  • Number of elements: 4
  • Element list: ['Ta', 'Ti', 'Tl', 'O']
  • Chemical System: O-Ta-Ti-Tl
  • Density: 7.236114434162558
  • Atomic Density: 0.06428289417017558
  • Unit Cell Volume: 420.01842556315404
  • Molar Volume: 9.368185483462577
  • Full Formula: Ta6 Ti1 Tl2 O18
  • Reduced Formula: Ta6TiTl2O18
  • Formula Anonymous: AB2C6D18
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -257.32832437
  • Final energy per atom: -9.530678680370372
  • 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.