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  1. Third-Parties
  2. MatprojStructure
  3. mp-683890

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-683890
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 4
  • Element list: ['Cs', 'Re', 'S', 'Br']
  • Chemical System: Br-Cs-Re-S
  • Density: 5.742193152381058
  • Atomic Density: 0.035300624028265865
  • Unit Cell Volume: 1133.1244447115512
  • Molar Volume: 17.059587261624497
  • Full Formula: Cs4 Re12 S16 Br8
  • Reduced Formula: CsRe3(S2Br)2
  • Formula Anonymous: AB2C3D4
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -278.12847305
  • Final energy per atom: -6.9532118262500004
  • 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.