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  1. Third-Parties
  2. MatprojStructure
  3. mp-760982

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-760982
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 4
  • Element list: ['Li', 'Mn', 'Cr', 'O']
  • Chemical System: Cr-Li-Mn-O
  • Density: 4.605735903042376
  • Atomic Density: 0.1137892485895907
  • Unit Cell Volume: 263.645294892512
  • Molar Volume: 5.292363588514721
  • Full Formula: Li6 Mn6 Cr2 O16
  • Reduced Formula: Li3Mn3CrO8
  • Formula Anonymous: AB3C3D8
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -225.84880242
  • Final energy per atom: -7.528293414
  • 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.