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  1. Third-Parties
  2. MatprojStructure
  3. mp-616232

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-616232
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 4
  • Element list: ['Tl', 'Cr', 'Bi', 'O']
  • Chemical System: Bi-Cr-O-Tl
  • Density: 4.409491494960729
  • Atomic Density: 0.06282581658439332
  • Unit Cell Volume: 1273.3618812982202
  • Molar Volume: 9.585455609495368
  • Full Formula: Tl4 Cr16 Bi4 O56
  • Reduced Formula: TlCr4BiO14
  • Formula Anonymous: ABC4D14
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -585.2432846400001
  • Final energy per atom: -7.315541058000001
  • 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.