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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196282

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-1196282
  • 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: 48
  • Number of elements: 3
  • Element list: ['Cs', 'H', 'F']
  • Chemical System: Cs-F-H
  • Density: 3.15150270312842
  • Atomic Density: 0.05933451929254938
  • Unit Cell Volume: 808.9725942387022
  • Molar Volume: 10.149472569766312
  • Full Formula: Cs8 H16 F24
  • Reduced Formula: CsH2F3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -217.81892959
  • Final energy per atom: -4.5378943664583336
  • 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.