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  1. Third-Parties
  2. MatprojStructure
  3. mp-1345265

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-1345265
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 3
  • Element list: ['Ta', 'Bi', 'O']
  • Chemical System: Bi-O-Ta
  • Density: 8.423532449001634
  • Atomic Density: 0.07138163636488751
  • Unit Cell Volume: 364.2393383515841
  • Molar Volume: 8.436540638009637
  • Full Formula: Ta4 Bi4 O18
  • Reduced Formula: Ta2Bi2O9
  • Formula Anonymous: A2B2C9
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -214.58869506
  • Final energy per atom: -8.253411348461539
  • 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.