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  1. Third-Parties
  2. MatprojStructure
  3. mp-557181

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-557181
  • 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: 64
  • Number of elements: 4
  • Element list: ['K', 'Na', 'N', 'O']
  • Chemical System: K-N-Na-O
  • Density: 2.6554836541150433
  • Atomic Density: 0.07475532260903116
  • Unit Cell Volume: 856.1263300904835
  • Molar Volume: 8.055801981479867
  • Full Formula: K12 Na12 N8 O32
  • Reduced Formula: K3Na3(NO4)2
  • Formula Anonymous: A2B3C3D8
  • Spacegroup Number: 60
  • Spacegroup Symbol: Pbcn
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -343.25515672999995
  • Final energy per atom: -5.363361823906249
  • 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.