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  1. Third-Parties
  2. MatprojStructure
  3. mp-27200

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-27200
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 128
  • Number of elements: 2
  • Element list: ['B', 'H']
  • Chemical System: B-H
  • Density: 0.8475502746725434
  • Atomic Density: 0.10227703546310074
  • Unit Cell Volume: 1251.5028365891533
  • Molar Volume: 5.8880673777180945
  • Full Formula: B52 H76
  • Reduced Formula: B13H19
  • Formula Anonymous: A13B19
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -625.65326669
  • Final energy per atom: -4.887916146015625
  • 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.