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  1. Third-Parties
  2. MatprojStructure
  3. mp-13948

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-13948
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 9
  • Number of elements: 3
  • Element list: ['Cs', 'Hf', 'F']
  • Chemical System: Cs-F-Hf
  • Density: 4.956427182728452
  • Atomic Density: 0.048117301572778194
  • Unit Cell Volume: 187.0429077654605
  • Molar Volume: 12.515541319147783
  • Full Formula: Cs2 Hf1 F6
  • Reduced Formula: Cs2HfF6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -57.11760061
  • Final energy per atom: -6.346400067777777
  • 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.