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  1. Third-Parties
  2. MatprojStructure
  3. mp-777154

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-777154
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 96
  • Number of elements: 4
  • Element list: ['Li', 'Ti', 'Cr', 'O']
  • Chemical System: Cr-Li-O-Ti
  • Density: 3.41385897309229
  • Atomic Density: 0.11109074597764859
  • Unit Cell Volume: 864.1583883081959
  • Molar Volume: 5.420920263881973
  • Full Formula: Li32 Ti11 Cr5 O48
  • Reduced Formula: Li32Ti11Cr5O48
  • Formula Anonymous: A5B11C32D48
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -696.53959365
  • Final energy per atom: -7.255620767187501
  • 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.