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  1. Third-Parties
  2. MatprojStructure
  3. mp-684020

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-684020
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 70
  • Number of elements: 3
  • Element list: ['Ce', 'C', 'I']
  • Chemical System: C-Ce-I
  • Density: 5.408541799507286
  • Atomic Density: 0.029149422573361162
  • Unit Cell Volume: 2401.419781946934
  • Molar Volume: 20.65955421533278
  • Full Formula: Ce24 C12 I34
  • Reduced Formula: Ce12C6I17
  • Formula Anonymous: A6B12C17
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -393.49410772
  • Final energy per atom: -5.621344396
  • 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.