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  1. Third-Parties
  2. MatprojStructure
  3. mp-3660

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-3660
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 3
  • Element list: ['Li', 'B', 'O']
  • Chemical System: B-Li-O
  • Density: 2.3841282499885716
  • Atomic Density: 0.10824907493995008
  • Unit Cell Volume: 332.5663523680972
  • Molar Volume: 5.563226072223446
  • Full Formula: Li4 B12 O20
  • Reduced Formula: LiB3O5
  • Formula Anonymous: AB3C5
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -287.93756869000003
  • Final energy per atom: -7.9982657969444455
  • 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.