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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201088

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-1201088
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 4
  • Element list: ['K', 'Cd', 'N', 'O']
  • Chemical System: Cd-K-N-O
  • Density: 2.3747691622298457
  • Atomic Density: 0.05845791962665375
  • Unit Cell Volume: 821.1034588051696
  • Molar Volume: 10.301667932182484
  • Full Formula: K4 Cd4 N36 O4
  • Reduced Formula: KCdN9O
  • Formula Anonymous: ABCD9
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -322.43218289000004
  • Final energy per atom: -6.717337143541667
  • 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.