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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217452

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-1217452
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 4
  • Element list: ['Ti', 'Fe', 'Bi', 'O']
  • Chemical System: Bi-Fe-O-Ti
  • Density: 7.812930962283888
  • Atomic Density: 0.07607518770732911
  • Unit Cell Volume: 630.9547363151055
  • Molar Volume: 7.91603799016302
  • Full Formula: Ti6 Fe2 Bi10 O30
  • Reduced Formula: Ti3Fe(BiO3)5
  • Formula Anonymous: AB3C5D15
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -364.93352265
  • Final energy per atom: -7.602781721875
  • 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.