Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-772198

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-772198
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 33
  • Number of elements: 3
  • Element list: ['Be', 'Bi', 'O']
  • Chemical System: Be-Bi-O
  • Density: 9.104256024554427
  • Atomic Density: 0.06378021037480613
  • Unit Cell Volume: 517.4018681668593
  • Molar Volume: 9.442020847235728
  • Full Formula: Be1 Bi12 O20
  • Reduced Formula: Be(Bi3O5)4
  • Formula Anonymous: AB12C20
  • Spacegroup Number: 197
  • Spacegroup Symbol: I23
  • Crystal System: cubic
  • Pointgroup: 23

Thermodynamics:

  • Final energy: -202.94756116
  • Final energy per atom: -6.149926095757576
  • 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.