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  1. Third-Parties
  2. MatprojStructure
  3. mp-1042413

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-1042413
  • 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: 64
  • Number of elements: 4
  • Element list: ['Ta', 'Zn', 'Bi', 'O']
  • Chemical System: Bi-O-Ta-Zn
  • Density: 7.705431909679739
  • Atomic Density: 0.06934462794756645
  • Unit Cell Volume: 922.926575486025
  • Molar Volume: 8.684365232377512
  • Full Formula: Ta8 Zn8 Bi8 O40
  • Reduced Formula: TaZnBiO5
  • Formula Anonymous: ABCD5
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -484.89194678
  • Final energy per atom: -7.5764366684375
  • 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.