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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217238

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-1217238
  • 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: 28
  • Number of elements: 5
  • Element list: ['Ti', 'Bi', 'W', 'Br', 'O']
  • Chemical System: Bi-Br-O-Ti-W
  • Density: 8.417229308741458
  • Atomic Density: 0.06119445400621381
  • Unit Cell Volume: 457.5578041297145
  • Molar Volume: 9.840991079663036
  • Full Formula: Ti1 Bi8 W1 Br2 O16
  • Reduced Formula: TiBi8W(BrO8)2
  • Formula Anonymous: ABC2D8E16
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -188.57722431
  • Final energy per atom: -6.734900868214285
  • 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.