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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195154

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-1195154
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 76
  • Number of elements: 5
  • Element list: ['Ba', 'Ga', 'B', 'H', 'O']
  • Chemical System: B-Ba-Ga-H-O
  • Density: 3.22495096216849
  • Atomic Density: 0.08927909786242369
  • Unit Cell Volume: 851.2630819490765
  • Molar Volume: 6.745297504327308
  • Full Formula: Ba4 Ga4 B16 H12 O40
  • Reduced Formula: BaGaB4H3O10
  • Formula Anonymous: ABC3D4E10
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -556.9563573
  • Final energy per atom: -7.328373122368421
  • 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.