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  1. Third-Parties
  2. MatprojStructure
  3. mp-28244

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-28244
  • 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: 32
  • Number of elements: 3
  • Element list: ['Tl', 'B', 'O']
  • Chemical System: B-O-Tl
  • Density: 5.961792285065406
  • Atomic Density: 0.05809669013407437
  • Unit Cell Volume: 550.8059052271489
  • Molar Volume: 10.365720914740969
  • Full Formula: Tl8 B8 O16
  • Reduced Formula: TlBO2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 76
  • Spacegroup Symbol: P4_1
  • Crystal System: tetragonal
  • Pointgroup: 4

Thermodynamics:

  • Final energy: -221.77769316
  • Final energy per atom: -6.93055291125
  • 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.