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  1. Third-Parties
  2. MatprojStructure
  3. mp-753178

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-753178
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 15
  • Number of elements: 4
  • Element list: ['Li', 'Fe', 'C', 'O']
  • Chemical System: C-Fe-Li-O
  • Density: 2.935607661248986
  • Atomic Density: 0.08879049104519231
  • Unit Cell Volume: 168.9370091710085
  • Molar Volume: 6.782416325341493
  • Full Formula: Li1 Fe2 C3 O9
  • Reduced Formula: LiFe2(CO3)3
  • Formula Anonymous: AB2C3D9
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -117.04698974
  • Final energy per atom: -7.8031326493333335
  • 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.