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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204403

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-1204403
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 4
  • Element list: ['Co', 'I', 'N', 'O']
  • Chemical System: Co-I-N-O
  • Density: 2.1664190010345754
  • Atomic Density: 0.03346958860786896
  • Unit Cell Volume: 1314.6262571525979
  • Molar Volume: 17.99287356219296
  • Full Formula: Co4 I8 N24 O8
  • Reduced Formula: CoI2(N3O)2
  • Formula Anonymous: AB2C2D6
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -275.71675421
  • Final energy per atom: -6.26628986840909
  • 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.