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  1. Third-Parties
  2. MatprojStructure
  3. mp-1190655

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-1190655
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 3
  • Element list: ['Li', 'B', 'H']
  • Chemical System: B-H-Li
  • Density: 0.1615865408357268
  • Atomic Density: 0.02680244992151538
  • Unit Cell Volume: 895.4405313797175
  • Molar Volume: 22.468620509074402
  • Full Formula: Li4 B4 H16
  • Reduced Formula: LiBH4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -81.00728015
  • Final energy per atom: -3.375303339583333
  • 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.