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  1. Third-Parties
  2. MatprojStructure
  3. mp-29644

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-29644
  • 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: 12
  • Number of elements: 3
  • Element list: ['Ge', 'Bi', 'Te']
  • Chemical System: Bi-Ge-Te
  • Density: 7.191415849898384
  • Atomic Density: 0.028843584096863422
  • Unit Cell Volume: 416.037062512801
  • Molar Volume: 20.878614598575062
  • Full Formula: Ge1 Bi4 Te7
  • Reduced Formula: GeBi4Te7
  • Formula Anonymous: AB4C7
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -47.63081778
  • Final energy per atom: -3.969234815
  • 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.