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  1. Third-Parties
  2. MatprojStructure
  3. mp-1182756

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-1182756
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 4
  • Element list: ['Cs', 'Tc', 'S', 'Br']
  • Chemical System: Br-Cs-S-Tc
  • Density: 3.9543945462029466
  • Atomic Density: 0.029934700310944293
  • Unit Cell Volume: 1737.1144344140473
  • Molar Volume: 20.11759161590227
  • Full Formula: Cs10 Tc12 S16 Br14
  • Reduced Formula: Cs5Tc6S8Br7
  • Formula Anonymous: A5B6C7D8
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -295.58255938
  • Final energy per atom: -5.6842799880769235
  • 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.