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  1. Third-Parties
  2. MatprojStructure
  3. mp-850414

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-850414
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 136
  • Number of elements: 5
  • Element list: ['Li', 'B', 'P', 'H', 'O']
  • Chemical System: B-H-Li-O-P
  • Density: 1.9986230539443361
  • Atomic Density: 0.09413231499842291
  • Unit Cell Volume: 1444.774836380881
  • Molar Volume: 6.397527522935025
  • Full Formula: Li8 B24 P8 H24 O72
  • Reduced Formula: LiB3P(HO3)3
  • Formula Anonymous: ABC3D3E9
  • Spacegroup Number: 60
  • Spacegroup Symbol: Pbcn
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -983.98983
  • Final energy per atom: -7.235219338235294
  • 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.