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  1. Third-Parties
  2. MatprojStructure
  3. mp-1202293

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-1202293
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 70
  • Number of elements: 5
  • Element list: ['Ba', 'Ge', 'B', 'H', 'O']
  • Chemical System: B-Ba-Ge-H-O
  • Density: 3.8953908898481826
  • Atomic Density: 0.08588847573294141
  • Unit Cell Volume: 815.010388793667
  • Molar Volume: 7.011581831682555
  • Full Formula: Ba6 Ge4 B14 H6 O40
  • Reduced Formula: Ba3Ge2B7H3O20
  • Formula Anonymous: A2B3C3D7E20
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -521.4406494799999
  • Final energy per atom: -7.44915213542857
  • 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.