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  1. Third-Parties
  2. MatprojStructure
  3. mp-1208072

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-1208072
  • 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: 38
  • Number of elements: 5
  • Element list: ['Yb', 'Co', 'C', 'N', 'O']
  • Chemical System: C-Co-N-O-Yb
  • Density: 2.3326410137399893
  • Atomic Density: 0.057021329711511186
  • Unit Cell Volume: 666.4172896748275
  • Molar Volume: 10.561207166630279
  • Full Formula: Yb2 Co2 C12 N12 O10
  • Reduced Formula: YbCoC6N6O5
  • Formula Anonymous: ABC5D6E6
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m

Thermodynamics:

  • Final energy: -258.92544256
  • Final energy per atom: -6.813827435789475
  • 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.