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  1. Third-Parties
  2. MatprojStructure
  3. mp-32597

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-32597
  • 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: 33
  • Number of elements: 2
  • Element list: ['Bi', 'O']
  • Chemical System: Bi-O
  • Density: 8.824820753039749
  • Atomic Density: 0.057751610236059715
  • Unit Cell Volume: 571.4126388011086
  • Molar Volume: 10.427658614858528
  • Full Formula: Bi13 O20
  • Reduced Formula: Bi13O20
  • Formula Anonymous: A13B20
  • Spacegroup Number: 197
  • Spacegroup Symbol: I23
  • Crystal System: cubic
  • Pointgroup: 23

Thermodynamics:

  • Final energy: -202.21493514
  • Final energy per atom: -6.127725307272727
  • 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.