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  1. Third-Parties
  2. MatprojStructure
  3. mp-1042391

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-1042391
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 4
  • Element list: ['Mg', 'Ti', 'Bi', 'O']
  • Chemical System: Bi-Mg-O-Ti
  • Density: 5.719381388367921
  • Atomic Density: 0.07629622487043553
  • Unit Cell Volume: 838.8357367442926
  • Molar Volume: 7.893104501863178
  • Full Formula: Mg8 Ti8 Bi8 O40
  • Reduced Formula: MgTiBiO5
  • Formula Anonymous: ABCD5
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -466.87196068
  • Final energy per atom: -7.294874385625
  • 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.