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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228452

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-1228452
  • 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: 29
  • Number of elements: 5
  • Element list: ['Ba', 'Ti', 'Fe', 'Bi', 'O']
  • Chemical System: Ba-Bi-Fe-O-Ti
  • Density: 6.20938070450685
  • Atomic Density: 0.07588301841612957
  • Unit Cell Volume: 382.1671910962863
  • Molar Volume: 7.936084891847085
  • Full Formula: Ba3 Ti3 Fe3 Bi2 O18
  • Reduced Formula: Ba3Ti3Fe3(BiO9)2
  • Formula Anonymous: A2B3C3D3E18
  • Spacegroup Number: 156
  • Spacegroup Symbol: P3m1
  • Crystal System: trigonal
  • Pointgroup: 3m1

Thermodynamics:

  • Final energy: -222.04006855
  • Final energy per atom: -7.656554087931035
  • 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.