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  1. Third-Parties
  2. MatprojStructure
  3. mp-657985

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-657985
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 3
  • Element list: ['Ce', 'C', 'Cl']
  • Chemical System: C-Ce-Cl
  • Density: 4.224098872225205
  • Atomic Density: 0.0389976345226473
  • Unit Cell Volume: 820.5625903134323
  • Molar Volume: 15.44232319143032
  • Full Formula: Ce10 C4 Cl18
  • Reduced Formula: Ce5C2Cl9
  • Formula Anonymous: A2B5C9
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -195.71441715
  • Final energy per atom: -6.1160755359375
  • 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.