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  1. Third-Parties
  2. MatprojStructure
  3. mp-1176793

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-1176793
  • 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: 56
  • Number of elements: 4
  • Element list: ['Li', 'Mn', 'Ni', 'O']
  • Chemical System: Li-Mn-Ni-O
  • Density: 4.1083892143298595
  • Atomic Density: 0.09827819015992137
  • Unit Cell Volume: 569.81106295176
  • Molar Volume: 6.127647192322715
  • Full Formula: Li9 Mn12 Ni3 O32
  • Reduced Formula: Li9Mn12Ni3O32
  • Formula Anonymous: A3B9C12D32
  • Spacegroup Number: 155
  • Spacegroup Symbol: R32H
  • Crystal System: trigonal
  • Pointgroup: 32

Thermodynamics:

  • Final energy: -413.01133712
  • Final energy per atom: -7.375202448571429
  • 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.