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  1. Third-Parties
  2. MatprojStructure
  3. mp-555256

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-555256
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 3
  • Element list: ['Li', 'C', 'O']
  • Chemical System: C-Li-O
  • Density: 2.3600951586309256
  • Atomic Density: 0.12326548348127055
  • Unit Cell Volume: 146.02627995804676
  • Molar Volume: 4.885504514258469
  • Full Formula: Li8 C2 O8
  • Reduced Formula: Li4CO4
  • Formula Anonymous: AB4C4
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -109.84808452
  • Final energy per atom: -6.102671362222222
  • 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.