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  1. Third-Parties
  2. MatprojStructure
  3. mp-1102755

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-1102755
  • 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: 1.983885061252094
  • Atomic Density: 0.13391668493343126
  • Unit Cell Volume: 89.60795292957773
  • Molar Volume: 4.496930881311429
  • Full Formula: Li4 Be4 B4
  • Reduced Formula: LiBeB
  • Formula Anonymous: ABC
  • Spacegroup Number: 44
  • Spacegroup Symbol: Imm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -47.1374748
  • Final energy per atom: -3.9281229
  • 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.