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  1. Third-Parties
  2. MatprojStructure
  3. mp-1192699

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-1192699
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['Lu', 'Co', 'C', 'N']
  • Chemical System: C-Co-Lu-N
  • Density: 2.1410658269344056
  • Atomic Density: 0.04628488981508758
  • Unit Cell Volume: 604.9490473427201
  • Molar Volume: 13.011029699020586
  • Full Formula: Lu2 Co2 C12 N12
  • Reduced Formula: LuCo(CN)6
  • Formula Anonymous: ABC6D6
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm

Thermodynamics:

  • Final energy: -241.13437299000003
  • Final energy per atom: -8.6119418925
  • 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.