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  1. Third-Parties
  2. MatprojStructure
  3. mp-850220

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-850220
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 84
  • Number of elements: 3
  • Element list: ['Si', 'Bi', 'O']
  • Chemical System: Bi-O-Si
  • Density: 3.413678131380138
  • Atomic Density: 0.07177413479900482
  • Unit Cell Volume: 1170.3380366093204
  • Molar Volume: 8.39040523005162
  • Full Formula: Si24 Bi4 O56
  • Reduced Formula: Si6BiO14
  • Formula Anonymous: AB6C14
  • Spacegroup Number: 72
  • Spacegroup Symbol: Ibam
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -670.83026722
  • Final energy per atom: -7.986074609761904
  • 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.