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  1. Third-Parties
  2. MatprojStructure
  3. mp-754692

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-754692
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 3
  • Element list: ['Bi', 'B', 'O']
  • Chemical System: B-Bi-O
  • Density: 7.950982291437373
  • Atomic Density: 0.0752906775035736
  • Unit Cell Volume: 212.50970944232205
  • Molar Volume: 7.998521144552278
  • Full Formula: Bi4 B2 O10
  • Reduced Formula: Bi2BO5
  • Formula Anonymous: AB2C5
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -109.42680934
  • Final energy per atom: -6.83917558375
  • 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.