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  1. Third-Parties
  2. MatprojStructure
  3. mp-1214385

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-1214385
  • 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: 14
  • Number of elements: 3
  • Element list: ['Cr', 'I', 'N']
  • Chemical System: Cr-I-N
  • Density: 2.8403338462773973
  • Atomic Density: 0.02337720029488641
  • Unit Cell Volume: 598.8741091063157
  • Molar Volume: 25.760744161127363
  • Full Formula: Cr1 I7 N6
  • Reduced Formula: CrI7N6
  • Formula Anonymous: AB6C7
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -70.73497045
  • Final energy per atom: -5.052497889285715
  • 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.