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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204612

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-1204612
  • 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: 48
  • Number of elements: 4
  • Element list: ['Ce', 'C', 'I', 'N']
  • Chemical System: C-Ce-I-N
  • Density: 4.690497199986105
  • Atomic Density: 0.025147262073196966
  • Unit Cell Volume: 1908.756502409082
  • Molar Volume: 23.94750069598494
  • Full Formula: Ce16 C4 I24 N4
  • Reduced Formula: Ce4CI6N
  • Formula Anonymous: ABC4D6
  • Spacegroup Number: 136
  • Spacegroup Symbol: P4_2/mnm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -275.78990024
  • Final energy per atom: -5.7456229216666665
  • 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.