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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227439

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-1227439
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Bi', 'Te', 'Se']
  • Chemical System: Bi-Se-Te
  • Density: 7.243771717577152
  • Atomic Density: 0.029969060855409718
  • Unit Cell Volume: 333.67745650244154
  • Molar Volume: 20.094526114964804
  • Full Formula: Bi4 Te3 Se3
  • Reduced Formula: Bi4(TeSe)3
  • Formula Anonymous: A3B3C4
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -41.31544147
  • Final energy per atom: -4.1315441470000005
  • 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.