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  1. Third-Parties
  2. MatprojStructure
  3. mp-1046134

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-1046134
  • 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: 52
  • Number of elements: 4
  • Element list: ['Mg', 'Ta', 'Ni', 'O']
  • Chemical System: Mg-Ni-O-Ta
  • Density: 6.717303975347748
  • Atomic Density: 0.08805896141685032
  • Unit Cell Volume: 590.5134373984299
  • Molar Volume: 6.838759693624602
  • Full Formula: Mg8 Ta8 Ni4 O32
  • Reduced Formula: Mg2Ta2NiO8
  • Formula Anonymous: AB2C2D8
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -442.88072062
  • Final energy per atom: -8.516936935
  • 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.