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  1. Third-Parties
  2. MatprojStructure
  3. mp-696597

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-696597
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 2
  • Element list: ['B', 'H']
  • Chemical System: B-H
  • Density: 0.7376104233225467
  • Atomic Density: 0.09851322750487305
  • Unit Cell Volume: 142.11289544145203
  • Molar Volume: 6.113027572568475
  • Full Formula: B5 H9
  • Reduced Formula: B5H9
  • Formula Anonymous: A5B9
  • Spacegroup Number: 107
  • Spacegroup Symbol: I4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -66.21746078000001
  • Final energy per atom: -4.7298186271428575
  • 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.