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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223463

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-1223463
  • 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: 8
  • Number of elements: 4
  • Element list: ['K', 'C', 'N', 'O']
  • Chemical System: C-K-N-O
  • Density: 1.9832181444681287
  • Atomic Density: 0.05889516910119279
  • Unit Cell Volume: 135.8345705104356
  • Molar Volume: 10.225186296099853
  • Full Formula: K2 C2 N2 O2
  • Reduced Formula: KCNO
  • Formula Anonymous: ABCD
  • Spacegroup Number: 46
  • Spacegroup Symbol: Ima2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -57.17713178
  • Final energy per atom: -7.1471414725
  • 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.