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  1. Third-Parties
  2. MatprojStructure
  3. mp-1103047

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-1103047
  • 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: 12
  • Number of elements: 3
  • Element list: ['Li', 'Be', 'B']
  • Chemical System: B-Be-Li
  • Density: 1.5362933046150973
  • Atomic Density: 0.10370323889108461
  • Unit Cell Volume: 115.71480436211952
  • Molar Volume: 5.8070903323712155
  • Full Formula: Li4 Be4 B4
  • Reduced Formula: LiBeB
  • Formula Anonymous: ABC
  • Spacegroup Number: 156
  • Spacegroup Symbol: P3m1
  • Crystal System: trigonal
  • Pointgroup: 3m1

Thermodynamics:

  • Final energy: -49.38529501
  • Final energy per atom: -4.115441250833333
  • 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.