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  1. Third-Parties
  2. MatprojStructure
  3. mp-1213587

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-1213587
  • 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: 101
  • Number of elements: 8
  • Element list: ['K', 'Ba', 'Na', 'Ti', 'Mn', 'Si', 'W', 'O']
  • Chemical System: Ba-K-Mn-Na-O-Si-Ti-W
  • Density: 4.282378351402225
  • Atomic Density: 0.06838390832933738
  • Unit Cell Volume: 1476.9556532742072
  • Molar Volume: 8.806371129004981
  • Full Formula: K4 Ba2 Na4 Ti8 Mn1 Si16 W8 O58
  • Reduced Formula: K4Ba2Na4Ti8MnSi16(W4O29)2
  • Formula Anonymous: AB2C4D4E8F8G16H58
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -819.63846226
  • Final energy per atom: -8.11523229960396
  • 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.