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  1. Third-Parties
  2. MatprojStructure
  3. mp-1180803

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-1180803
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 3
  • Element list: ['Li', 'C', 'O']
  • Chemical System: C-Li-O
  • Density: 1.2977848107917123
  • Atomic Density: 0.06135714318390209
  • Unit Cell Volume: 1173.457502481801
  • Molar Volume: 9.814897577532577
  • Full Formula: Li18 C18 O36
  • Reduced Formula: LiCO2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 173
  • Spacegroup Symbol: P6_3
  • Crystal System: hexagonal
  • Pointgroup: 6

Thermodynamics:

  • Final energy: -488.17690156
  • Final energy per atom: -6.780234743888888
  • 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.