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  1. Third-Parties
  2. MatprojStructure
  3. mp-1177887

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-1177887
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 8
  • Number of elements: 4
  • Element list: ['Li', 'Ti', 'Cu', 'O']
  • Chemical System: Cu-Li-O-Ti
  • Density: 4.249144947779908
  • Atomic Density: 0.10814558622583852
  • Unit Cell Volume: 73.9743551187909
  • Molar Volume: 5.5685497394448165
  • Full Formula: Li2 Ti1 Cu1 O4
  • Reduced Formula: Li2TiCuO4
  • Formula Anonymous: ABC2D4
  • Spacegroup Number: 10
  • Spacegroup Symbol: P12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -54.41500076
  • Final energy per atom: -6.801875095
  • 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.