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  1. Third-Parties
  2. MatprojStructure
  3. mp-540792

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-540792
  • 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: 28
  • Number of elements: 3
  • Element list: ['Ge', 'S', 'Br']
  • Chemical System: Br-Ge-S
  • Density: 2.775149700032609
  • Atomic Density: 0.029153090189742662
  • Unit Cell Volume: 960.4470681413949
  • Molar Volume: 20.656955131702826
  • Full Formula: Ge8 S12 Br8
  • Reduced Formula: Ge2S3Br2
  • Formula Anonymous: A2B2C3
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -122.45023266
  • Final energy per atom: -4.373222595
  • 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.