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  1. Third-Parties
  2. MatprojStructure
  3. mp-1222666

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-1222666
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 5
  • Element list: ['Li', 'Mn', 'Cu', 'Ru', 'O']
  • Chemical System: Cu-Li-Mn-O-Ru
  • Density: 5.4913005991611055
  • Atomic Density: 0.09069009662122085
  • Unit Cell Volume: 154.3718721402718
  • Molar Volume: 6.640351024381708
  • Full Formula: Li1 Mn2 Cu1 Ru2 O8
  • Reduced Formula: LiMn2Cu(RuO4)2
  • Formula Anonymous: ABC2D2E8
  • Spacegroup Number: 44
  • Spacegroup Symbol: Imm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -105.42612149
  • Final energy per atom: -7.530437249285714
  • 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.