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  1. Third-Parties
  2. MatprojStructure
  3. mp-1212630

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-1212630
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 49
  • Number of elements: 7
  • Element list: ['K', 'Ba', 'Na', 'Ti', 'Si', 'W', 'O']
  • Chemical System: Ba-K-Na-O-Si-Ti-W
  • Density: 4.25888311969573
  • Atomic Density: 0.06752999517126473
  • Unit Cell Volume: 725.6034873944491
  • Molar Volume: 8.917727218441344
  • Full Formula: K2 Ba1 Na2 Ti4 Si8 W4 O28
  • Reduced Formula: K2BaNa2Ti4Si8(WO7)4
  • Formula Anonymous: AB2C2D4E4F8G28
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -397.0297137600001
  • Final energy per atom: -8.102647219591839
  • 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.