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  1. Third-Parties
  2. MatprojStructure
  3. mp-29599

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-29599
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 68
  • Number of elements: 3
  • Element list: ['Re', 'S', 'Br']
  • Chemical System: Br-Re-S
  • Density: 3.976249062958257
  • Atomic Density: 0.03032425682267577
  • Unit Cell Volume: 2242.429234049726
  • Molar Volume: 19.859153664391815
  • Full Formula: Re12 S28 Br28
  • Reduced Formula: Re3(SBr)7
  • Formula Anonymous: A3B7C7
  • Spacegroup Number: 159
  • Spacegroup Symbol: P31c
  • Crystal System: trigonal
  • Pointgroup: 31m

Thermodynamics:

  • Final energy: -364.4476895
  • Final energy per atom: -5.359524845588235
  • 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.