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  1. Third-Parties
  2. MatprojStructure
  3. mp-29127

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-29127
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 3
  • Element list: ['Bi', 'Te', 'Br']
  • Chemical System: Bi-Br-Te
  • Density: 4.737111300448586
  • Atomic Density: 0.02547764411760833
  • Unit Cell Volume: 549.5013563802863
  • Molar Volume: 23.636960828092917
  • Full Formula: Bi2 Te4 Br8
  • Reduced Formula: Bi(TeBr2)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -44.51126849
  • Final energy per atom: -3.1793763207142858
  • 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.