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  1. Third-Parties
  2. MatprojStructure
  3. mp-13000

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-13000
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 4
  • Element list: ['Ba', 'Ho', 'Ta', 'O']
  • Chemical System: Ba-Ho-O-Ta
  • Density: 7.711723000804539
  • Atomic Density: 0.0648139954623215
  • Unit Cell Volume: 154.28766470373407
  • Molar Volume: 9.291420343775703
  • Full Formula: Ba2 Ho1 Ta1 O6
  • Reduced Formula: Ba2HoTaO6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 87
  • Spacegroup Symbol: I4/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -85.89371459
  • Final energy per atom: -8.589371459
  • 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.