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  1. Third-Parties
  2. MatprojStructure
  3. mp-725922

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-725922
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 4
  • Element list: ['Cd', 'C', 'N', 'O']
  • Chemical System: C-Cd-N-O
  • Density: 1.3869885966017248
  • Atomic Density: 0.03582632482566511
  • Unit Cell Volume: 614.073592729772
  • Molar Volume: 16.809261874625456
  • Full Formula: Cd2 C4 N8 O8
  • Reduced Formula: CdC2(NO)4
  • Formula Anonymous: AB2C4D4
  • Spacegroup Number: 18
  • Spacegroup Symbol: P2_12_12
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -167.04716337999997
  • Final energy per atom: -7.59305288090909
  • 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.