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  1. Third-Parties
  2. MatprojStructure
  3. mp-28040

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-28040
  • 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: 21
  • Number of elements: 3
  • Element list: ['Hf', 'B', 'H']
  • Chemical System: B-H-Hf
  • Density: 1.8204683997517197
  • Atomic Density: 0.09678989719406503
  • Unit Cell Volume: 216.96479290493224
  • Molar Volume: 6.221869156370245
  • Full Formula: Hf1 B4 H16
  • Reduced Formula: Hf(BH4)4
  • Formula Anonymous: AB4C16
  • Spacegroup Number: 215
  • Spacegroup Symbol: P-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -97.59459583
  • Final energy per atom: -4.647361706190476
  • 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.