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  1. Third-Parties
  2. MatprojStructure
  3. mp-556529

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-556529
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 4
  • Element list: ['Cs', 'Mn', 'Bi', 'S']
  • Chemical System: Bi-Cs-Mn-S
  • Density: 4.809265409329641
  • Atomic Density: 0.032214631632257094
  • Unit Cell Volume: 1241.6718110148208
  • Molar Volume: 18.693806059138428
  • Full Formula: Cs8 Mn4 Bi8 S20
  • Reduced Formula: Cs2MnBi2S5
  • Formula Anonymous: AB2C2D5
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -197.48966499
  • Final energy per atom: -4.9372416247499995
  • 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.