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  1. Third-Parties
  2. MatprojStructure
  3. mp-1019787

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-1019787
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 76
  • Number of elements: 5
  • Element list: ['K', 'Na', 'Zn', 'B', 'O']
  • Chemical System: B-K-Na-O-Zn
  • Density: 2.474062799944443
  • Atomic Density: 0.0743696628981659
  • Unit Cell Volume: 1021.9220719618766
  • Molar Volume: 8.09757705671746
  • Full Formula: K8 Na4 Zn4 B20 O40
  • Reduced Formula: K2NaZn(BO2)5
  • Formula Anonymous: ABC2D5E10
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -552.04140162
  • Final energy per atom: -7.263702652894737
  • 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.