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  1. Third-Parties
  2. MatprojStructure
  3. mp-1222423

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-1222423
  • 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: 10
  • Number of elements: 4
  • Element list: ['Li', 'Ta', 'Cu', 'O']
  • Chemical System: Cu-Li-O-Ta
  • Density: 7.877380094518144
  • Atomic Density: 0.08978153446779423
  • Unit Cell Volume: 111.38147793171352
  • Molar Volume: 6.707549381616126
  • Full Formula: Li1 Ta2 Cu1 O6
  • Reduced Formula: LiTa2CuO6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 146
  • Spacegroup Symbol: R3H
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -87.11038233
  • Final energy per atom: -8.711038233
  • 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.