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  1. Third-Parties
  2. MatprojStructure
  3. mp-767456

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-767456
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 50
  • Number of elements: 4
  • Element list: ['Li', 'Ta', 'Cu', 'O']
  • Chemical System: Cu-Li-O-Ta
  • Density: 7.749897140755329
  • Atomic Density: 0.09026251799851416
  • Unit Cell Volume: 553.939787064472
  • Molar Volume: 6.671806740533354
  • Full Formula: Li6 Ta10 Cu4 O30
  • Reduced Formula: Li3Ta5Cu2O15
  • Formula Anonymous: A2B3C5D15
  • Spacegroup Number: 146
  • Spacegroup Symbol: R3H
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -437.14669821
  • Final energy per atom: -8.7429339642
  • 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.