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  1. Third-Parties
  2. MatprojStructure
  3. mp-568922

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-568922
  • 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: 40
  • Number of elements: 3
  • Element list: ['Ce', 'C', 'I']
  • Chemical System: C-Ce-I
  • Density: 5.542291991318333
  • Atomic Density: 0.029202175115669568
  • Unit Cell Volume: 1369.760979843465
  • Molar Volume: 20.622233570432172
  • Full Formula: Ce14 C6 I20
  • Reduced Formula: Ce7C3I10
  • Formula Anonymous: A3B7C10
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -220.46965649
  • Final energy per atom: -5.51174141225
  • 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.