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  1. Third-Parties
  2. MatprojStructure
  3. mp-1218076

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-1218076
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 4
  • Element list: ['Ta', 'Zn', 'Bi', 'O']
  • Chemical System: Bi-O-Ta-Zn
  • Density: 8.708195832881742
  • Atomic Density: 0.07567413035865503
  • Unit Cell Volume: 290.7202222969954
  • Molar Volume: 7.95799136568635
  • Full Formula: Ta3 Zn2 Bi3 O14
  • Reduced Formula: Ta3Zn2Bi3O14
  • Formula Anonymous: A2B3C3D14
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -173.72419558
  • Final energy per atom: -7.896554344545455
  • 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.