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  1. Third-Parties
  2. MatprojStructure
  3. mp-976307

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-976307
  • 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: 34
  • Number of elements: 4
  • Element list: ['K', 'Ba', 'Si', 'O']
  • Chemical System: Ba-K-O-Si
  • Density: 3.152754693455352
  • Atomic Density: 0.06183628360201048
  • Unit Cell Volume: 549.8389945105718
  • Molar Volume: 9.738846530233914
  • Full Formula: K8 Ba2 Si6 O18
  • Reduced Formula: K4Ba(SiO3)3
  • Formula Anonymous: AB3C4D9
  • Spacegroup Number: 40
  • Spacegroup Symbol: Ama2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -232.04891068
  • Final energy per atom: -6.824967961176471
  • 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.