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  1. Third-Parties
  2. MatprojStructure
  3. mp-772309

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-772309
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 4
  • Element list: ['Li', 'Ti', 'Cu', 'O']
  • Chemical System: Cu-Li-O-Ti
  • Density: 4.819898326893054
  • Atomic Density: 0.10300497326841315
  • Unit Cell Volume: 155.33230573544023
  • Molar Volume: 5.846456310713602
  • Full Formula: Li3 Ti1 Cu4 O8
  • Reduced Formula: Li3Ti(CuO2)4
  • Formula Anonymous: AB3C4D8
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -97.94858486
  • Final energy per atom: -6.12178655375
  • 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.