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  1. Third-Parties
  2. MatprojStructure
  3. mp-1202078

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-1202078
  • 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: 336
  • Number of elements: 6
  • Element list: ['Si', 'Bi', 'H', 'C', 'N', 'Cl']
  • Chemical System: Bi-C-Cl-H-N-Si
  • Density: 1.231180812606401
  • Atomic Density: 0.08420896297499673
  • Unit Cell Volume: 3990.074074416103
  • Molar Volume: 7.151424916357288
  • Full Formula: Si24 Bi4 H216 C72 N16 Cl4
  • Reduced Formula: Si6BiH54C18N4Cl
  • Formula Anonymous: ABC4D6E18F54
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -1754.2271095899996
  • Final energy per atom: -5.220914016636904
  • 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.