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  1. Third-Parties
  2. MatprojStructure
  3. mp-558323

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-558323
  • 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: 72
  • Number of elements: 4
  • Element list: ['Sr', 'Bi', 'B', 'O']
  • Chemical System: B-Bi-O-Sr
  • Density: 6.525680446826465
  • Atomic Density: 0.07377719454169533
  • Unit Cell Volume: 975.9113293378084
  • Molar Volume: 8.162604714654167
  • Full Formula: Sr6 Bi12 B12 O42
  • Reduced Formula: SrBi2B2O7
  • Formula Anonymous: AB2C2D7
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m

Thermodynamics:

  • Final energy: -524.58115973
  • Final energy per atom: -7.285849440694444
  • 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.