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  1. Third-Parties
  2. MatprojStructure
  3. mp-761784

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-761784
  • 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: 45
  • Number of elements: 3
  • Element list: ['Ba', 'Bi', 'O']
  • Chemical System: Ba-Bi-O
  • Density: 7.706807388260608
  • Atomic Density: 0.05768739253134824
  • Unit Cell Volume: 780.0664586381902
  • Molar Volume: 10.439266702386444
  • Full Formula: Ba8 Bi10 O27
  • Reduced Formula: Ba8Bi10O27
  • Formula Anonymous: A8B10C27
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -281.68859674
  • Final energy per atom: -6.2597465942222215
  • 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.