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  1. Third-Parties
  2. MatprojStructure
  3. mp-562542

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-562542
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 58
  • Number of elements: 5
  • Element list: ['Cs', 'Na', 'Hf', 'H', 'F']
  • Chemical System: Cs-F-H-Hf-Na
  • Density: 4.714069581010702
  • Atomic Density: 0.05665773568037966
  • Unit Cell Volume: 1023.6907512010785
  • Molar Volume: 10.62898241110868
  • Full Formula: Cs8 Na2 Hf6 H4 F38
  • Reduced Formula: Cs4NaHf3H2F19
  • Formula Anonymous: AB2C3D4E19
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -360.81593616
  • Final energy per atom: -6.220964416551724
  • 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.