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  1. Third-Parties
  2. MatprojStructure
  3. mp-1029504

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-1029504
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 3
  • Element list: ['K', 'Nb', 'N']
  • Chemical System: K-N-Nb
  • Density: 3.538072206678848
  • Atomic Density: 0.05326090365545443
  • Unit Cell Volume: 1201.631883942806
  • Molar Volume: 11.306869291886816
  • Full Formula: K16 Nb16 N32
  • Reduced Formula: KNbN2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -506.20479875
  • Final energy per atom: -7.90944998046875
  • 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.