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  1. Third-Parties
  2. MatprojStructure
  3. mp-1191955

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-1191955
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 3
  • Element list: ['Cs', 'B', 'H']
  • Chemical System: B-Cs-H
  • Density: 1.7940833725680996
  • Atomic Density: 0.0747688563639523
  • Unit Cell Volume: 320.98926166765506
  • Molar Volume: 8.054343817546213
  • Full Formula: Cs2 B6 H16
  • Reduced Formula: CsB3H8
  • Formula Anonymous: AB3C8
  • Spacegroup Number: 40
  • Spacegroup Symbol: Ama2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -104.75325336
  • Final energy per atom: -4.36471889
  • 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.