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  1. Third-Parties
  2. MatprojStructure
  3. mp-767054

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-767054
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 62
  • Number of elements: 5
  • Element list: ['Li', 'Ti', 'Mn', 'Ni', 'O']
  • Chemical System: Li-Mn-Ni-O-Ti
  • Density: 3.847592451100552
  • Atomic Density: 0.09142464231529504
  • Unit Cell Volume: 678.1541434549054
  • Molar Volume: 6.5869995304236655
  • Full Formula: Li8 Ti8 Mn8 Ni2 O36
  • Reduced Formula: Li4Ti4Mn4NiO18
  • Formula Anonymous: AB4C4D4E18
  • Spacegroup Number: 55
  • Spacegroup Symbol: Pbam
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -499.42620294
  • Final energy per atom: -8.055261337741936
  • 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.