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  1. Third-Parties
  2. MatprojStructure
  3. mp-1329950

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-1329950
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 66
  • Number of elements: 4
  • Element list: ['Ta', 'Zn', 'Cu', 'O']
  • Chemical System: Cu-O-Ta-Zn
  • Density: 5.994773689675762
  • Atomic Density: 0.06587332620037285
  • Unit Cell Volume: 1001.9229907905642
  • Molar Volume: 9.14200194124388
  • Full Formula: Ta12 Zn6 Cu6 O42
  • Reduced Formula: Ta2ZnCuO7
  • Formula Anonymous: ABC2D7
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -546.2471647000001
  • Final energy per atom: -8.276472192424244
  • 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.