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  1. Third-Parties
  2. MatprojStructure
  3. mp-1213928

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-1213928
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 108
  • Number of elements: 4
  • Element list: ['Cs', 'B', 'H', 'F']
  • Chemical System: B-Cs-F-H
  • Density: 2.444998437045489
  • Atomic Density: 0.06967736336228518
  • Unit Cell Volume: 1550.001245576092
  • Molar Volume: 8.642894147254216
  • Full Formula: Cs8 B48 H16 F36
  • Reduced Formula: Cs2B12H4F9
  • Formula Anonymous: A2B4C9D12
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -617.52640715
  • Final energy per atom: -5.717837103240741
  • 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.