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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197918

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-1197918
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 166
  • Number of elements: 4
  • Element list: ['Co', 'B', 'H', 'O']
  • Chemical System: B-Co-H-O
  • Density: 3.5930783746649677
  • Atomic Density: 0.12701097131458203
  • Unit Cell Volume: 1306.9737069315813
  • Molar Volume: 4.741433513711428
  • Full Formula: Co14 B48 H12 O92
  • Reduced Formula: Co7B24(H3O23)2
  • Formula Anonymous: A6B7C24D46
  • Spacegroup Number: 55
  • Spacegroup Symbol: Pbam
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -1315.13622696
  • Final energy per atom: -7.922507391325301
  • 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.