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  1. Third-Parties
  2. MatprojStructure
  3. mp-674987

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-674987
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 46
  • Number of elements: 3
  • Element list: ['Ba', 'Bi', 'O']
  • Chemical System: Ba-Bi-O
  • Density: 7.407531707647502
  • Atomic Density: 0.052900032069109634
  • Unit Cell Volume: 869.5646902426203
  • Molar Volume: 11.38400209688447
  • Full Formula: Ba10 Bi10 O26
  • Reduced Formula: Ba5Bi5O13
  • Formula Anonymous: A5B5C13
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -288.85705706000005
  • Final energy per atom: -6.279501240434784
  • 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.