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  1. Third-Parties
  2. MatprojStructure
  3. mp-707929

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-707929
  • 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', 'H', 'C', 'O']
  • Chemical System: B-C-H-Li-O
  • Density: 1.9020918985418895
  • Atomic Density: 0.09193789108674136
  • Unit Cell Volume: 1479.259513051991
  • Molar Volume: 6.550227211888344
  • Full Formula: Li8 B8 H16 C32 O72
  • Reduced Formula: LiBH2C4O9
  • Formula Anonymous: ABC2D4E9
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -1013.52789491
  • Final energy per atom: -7.452410991985294
  • 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.