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  1. Third-Parties
  2. MatprojStructure
  3. mp-15541

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-15541
  • 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: 96
  • Number of elements: 5
  • Element list: ['K', 'Na', 'Si', 'B', 'O']
  • Chemical System: B-K-Na-O-Si
  • Density: 2.4327707339349747
  • Atomic Density: 0.07524978475144839
  • Unit Cell Volume: 1275.7511575227757
  • Molar Volume: 8.002867755557382
  • Full Formula: K2 Na4 Si24 B6 O60
  • Reduced Formula: KNa2Si12(BO10)3
  • Formula Anonymous: AB2C3D12E30
  • Spacegroup Number: 192
  • Spacegroup Symbol: P6/mcc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm

Thermodynamics:

  • Final energy: -774.3981363
  • Final energy per atom: -8.066647253125
  • 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.