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  1. Third-Parties
  2. MatprojStructure
  3. mp-559911

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-559911
  • 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: 34
  • Number of elements: 3
  • Element list: ['V', 'S', 'Br']
  • Chemical System: Br-S-V
  • Density: 3.037171367436284
  • Atomic Density: 0.038294000788884654
  • Unit Cell Volume: 887.8675327616579
  • Molar Volume: 15.72606840742534
  • Full Formula: V8 S18 Br8
  • Reduced Formula: V4S9Br4
  • Formula Anonymous: A4B4C9
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -198.79510645
  • Final energy per atom: -5.846914895588235
  • 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.