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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217937

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-1217937
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 43
  • Number of elements: 4
  • Element list: ['Ti', 'Fe', 'Bi', 'O']
  • Chemical System: Bi-Fe-O-Ti
  • Density: 6.402665427633508
  • Atomic Density: 0.06242749435669103
  • Unit Cell Volume: 688.7990691138675
  • Molar Volume: 9.646616161769021
  • Full Formula: Ti6 Fe1 Bi9 O27
  • Reduced Formula: Ti6Fe(BiO3)9
  • Formula Anonymous: AB6C9D27
  • Spacegroup Number: 25
  • Spacegroup Symbol: Pmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -291.81175199
  • Final energy per atom: -6.78631981372093
  • 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.