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  1. Third-Parties
  2. MatprojStructure
  3. mp-1226414

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-1226414
  • 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: 36
  • Number of elements: 4
  • Element list: ['Cs', 'H', 'S', 'F']
  • Chemical System: Cs-F-H-S
  • Density: 3.1320902191220843
  • Atomic Density: 0.04907440667425807
  • Unit Cell Volume: 733.579933812705
  • Molar Volume: 12.27144894480998
  • Full Formula: Cs6 H2 S4 F24
  • Reduced Formula: Cs3H(SF6)2
  • Formula Anonymous: AB2C3D12
  • Spacegroup Number: 32
  • Spacegroup Symbol: Pba2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -159.59191703
  • Final energy per atom: -4.433108806388889
  • 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.