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  1. Third-Parties
  2. MatprojStructure
  3. mp-1191720

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-1191720
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 4
  • Element list: ['Tl', 'Ag', 'Te', 'O']
  • Chemical System: Ag-O-Te-Tl
  • Density: 7.09201979069776
  • Atomic Density: 0.05252741752270876
  • Unit Cell Volume: 456.90424414305676
  • Molar Volume: 11.464756966962055
  • Full Formula: Tl4 Ag4 Te4 O12
  • Reduced Formula: TlAgTeO3
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 45
  • Spacegroup Symbol: Iba2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -118.86115544999998
  • Final energy per atom: -4.95254814375
  • 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.