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  1. Third-Parties
  2. MatprojStructure
  3. mp-1397541

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-1397541
  • 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: 9
  • Number of elements: 3
  • Element list: ['Ti', 'Bi', 'O']
  • Chemical System: Bi-O-Ti
  • Density: 6.64863988174138
  • Atomic Density: 0.06413953104869757
  • Unit Cell Volume: 140.31908018109456
  • Molar Volume: 9.38912502404753
  • Full Formula: Ti1 Bi2 O6
  • Reduced Formula: Ti(BiO3)2
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 107
  • Spacegroup Symbol: I4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -61.94656716
  • Final energy per atom: -6.8829519066666665
  • 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.