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  1. Third-Parties
  2. MatprojStructure
  3. mp-777789

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-777789
  • 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: 64
  • Number of elements: 3
  • Element list: ['Na', 'Bi', 'O']
  • Chemical System: Bi-Na-O
  • Density: 5.81971454783041
  • Atomic Density: 0.07217936812284219
  • Unit Cell Volume: 886.6799705295049
  • Molar Volume: 8.34329936187708
  • Full Formula: Na22 Bi10 O32
  • Reduced Formula: Na11Bi5O16
  • Formula Anonymous: A5B11C16
  • Spacegroup Number: 208
  • Spacegroup Symbol: P4_232
  • Crystal System: cubic
  • Pointgroup: 432

Thermodynamics:

  • Final energy: -332.50167537
  • Final energy per atom: -5.19533867765625
  • 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.