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  1. Third-Parties
  2. MatprojStructure
  3. mp-1372315

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-1372315
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 4
  • Element list: ['Ta', 'Zn', 'Ni', 'O']
  • Chemical System: Ni-O-Ta-Zn
  • Density: 7.322120879047037
  • Atomic Density: 0.09453168757768032
  • Unit Cell Volume: 211.56926859647174
  • Molar Volume: 6.370499579891003
  • Full Formula: Ta2 Zn4 Ni2 O12
  • Reduced Formula: TaZn2NiO6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -139.74728635
  • Final energy per atom: -6.9873643175
  • 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.