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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199920

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-1199920
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 112
  • Number of elements: 4
  • Element list: ['B', 'H', 'C', 'Se']
  • Chemical System: B-C-H-Se
  • Density: 1.0111075155149638
  • Atomic Density: 0.07922247125164672
  • Unit Cell Volume: 1413.7402965408248
  • Molar Volume: 7.601556307011597
  • Full Formula: B40 H64 C4 Se4
  • Reduced Formula: B10H16CSe
  • Formula Anonymous: ABC10D16
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -546.90202256
  • Final energy per atom: -4.883053772857143
  • 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.