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  1. Third-Parties
  2. MatprojStructure
  3. mp-1079041

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-1079041
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 9
  • Number of elements: 3
  • Element list: ['Cd', 'I', 'N']
  • Chemical System: Cd-I-N
  • Density: 3.6388097129337726
  • Atomic Density: 0.029172274490680505
  • Unit Cell Volume: 308.51211148706204
  • Molar Volume: 20.643370683776674
  • Full Formula: Cd1 I4 N4
  • Reduced Formula: Cd(IN)4
  • Formula Anonymous: AB4C4
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -24.33700765
  • Final energy per atom: -2.7041119611111113
  • 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.