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  1. Third-Parties
  2. MatprojStructure
  3. mp-977148

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-977148
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 3
  • Element list: ['Li', 'Be', 'H']
  • Chemical System: Be-H-Li
  • Density: 0.7638687011089059
  • Atomic Density: 0.12120262309678591
  • Unit Cell Volume: 247.51939548406978
  • Molar Volume: 4.968655468117255
  • Full Formula: Li6 Be6 H18
  • Reduced Formula: LiBeH3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -104.67739447
  • Final energy per atom: -3.4892464823333333
  • 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.