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  1. Third-Parties
  2. MatprojStructure
  3. mp-604486

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-604486
  • 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: 108
  • Number of elements: 4
  • Element list: ['Li', 'B', 'H', 'N']
  • Chemical System: B-H-Li-N
  • Density: 0.8482520293472977
  • Atomic Density: 0.10813285781901827
  • Unit Cell Volume: 998.7713464556663
  • Molar Volume: 5.5692052179729155
  • Full Formula: Li4 B12 H72 N20
  • Reduced Formula: LiB3H18N5
  • Formula Anonymous: AB3C5D18
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -541.0029288100001
  • Final energy per atom: -5.009286377870371
  • 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.