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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224055

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-1224055
  • 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: 65
  • Number of elements: 4
  • Element list: ['K', 'Ba', 'Si', 'O']
  • Chemical System: Ba-K-O-Si
  • Density: 3.37616397909836
  • Atomic Density: 0.06207931140519116
  • Unit Cell Volume: 1047.0476963854437
  • Molar Volume: 9.70072093856444
  • Full Formula: K2 Ba7 Si16 O40
  • Reduced Formula: K2Ba7(Si2O5)8
  • Formula Anonymous: A2B7C16D40
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -515.0034226399999
  • Final energy per atom: -7.923129579076922
  • 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.