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  1. Third-Parties
  2. MatprojStructure
  3. mp-729342

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-729342
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 5
  • Element list: ['Rb', 'Bi', 'S', 'Cl', 'O']
  • Chemical System: Bi-Cl-O-Rb-S
  • Density: 3.4604082457573835
  • Atomic Density: 0.04261752994132649
  • Unit Cell Volume: 1032.4390001151362
  • Molar Volume: 14.13066587456138
  • Full Formula: Rb6 Bi4 S4 Cl10 O20
  • Reduced Formula: Rb3Bi2S2(ClO2)5
  • Formula Anonymous: A2B2C3D5E10
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -226.17718275
  • Final energy per atom: -5.1403905170454545
  • 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.