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  1. Third-Parties
  2. MatprojStructure
  3. mp-1208096

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-1208096
  • 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: 24
  • Number of elements: 4
  • Element list: ['Tl', 'Bi', 'W', 'O']
  • Chemical System: Bi-O-Tl-W
  • Density: 8.676421821718428
  • Atomic Density: 0.06897478229578168
  • Unit Cell Volume: 347.9532548153875
  • Molar Volume: 8.73093115999338
  • Full Formula: Tl2 Bi2 W4 O16
  • Reduced Formula: TlBi(WO4)2
  • Formula Anonymous: ABC2D8
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -191.02198814
  • Final energy per atom: -7.959249505833333
  • 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.