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  1. Third-Parties
  2. MatprojStructure
  3. mp-1191621

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-1191621
  • 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: 24
  • Number of elements: 4
  • Element list: ['Cd', 'I', 'N', 'O']
  • Chemical System: Cd-I-N-O
  • Density: 3.3922347631656575
  • Atomic Density: 0.023430308328002327
  • Unit Cell Volume: 1024.3143053869596
  • Molar Volume: 25.7023538730079
  • Full Formula: Cd4 I12 N4 O4
  • Reduced Formula: CdI3NO
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 26
  • Spacegroup Symbol: Pmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -64.32589863999999
  • Final energy per atom: -2.6802457766666663
  • 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.