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  1. Third-Parties
  2. MatprojStructure
  3. mp-562139

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-562139
  • 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: 54
  • Number of elements: 6
  • Element list: ['Li', 'Co', 'H', 'C', 'N', 'O']
  • Chemical System: C-Co-H-Li-N-O
  • Density: 1.5910707278703198
  • Atomic Density: 0.10555133149050418
  • Unit Cell Volume: 511.59942027693
  • Molar Volume: 5.705414299337169
  • Full Formula: Li1 Co1 H24 C8 N8 O12
  • Reduced Formula: LiCoH24C8(N2O3)4
  • Formula Anonymous: ABC8D8E12F24
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -315.17164595
  • Final energy per atom: -5.836511962037037
  • 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.