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  1. Third-Parties
  2. MatprojStructure
  3. mp-653887

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-653887
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 148
  • Number of elements: 4
  • Element list: ['Co', 'Pb', 'C', 'O']
  • Chemical System: C-Co-O-Pb
  • Density: 2.2622751732016506
  • Atomic Density: 0.0565684594281165
  • Unit Cell Volume: 2616.298932235705
  • Molar Volume: 10.645757054162917
  • Full Formula: Co16 Pb4 C64 O64
  • Reduced Formula: Co4Pb(CO)16
  • Formula Anonymous: AB4C16D16
  • Spacegroup Number: 56
  • Spacegroup Symbol: Pccn
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -1153.96182781
  • Final energy per atom: -7.7970393770945945
  • 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.