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  1. Third-Parties
  2. MatprojStructure
  3. mp-693620

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-693620
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 96
  • Number of elements: 6
  • Element list: ['K', 'Ca', 'Be', 'Al', 'Si', 'O']
  • Chemical System: Al-Be-Ca-K-O-Si
  • Density: 2.430203652886612
  • Atomic Density: 0.0715891297702926
  • Unit Cell Volume: 1340.985709814246
  • Molar Volume: 8.412088230885315
  • Full Formula: K2 Ca4 Be4 Al2 Si24 O60
  • Reduced Formula: KCa2Be2Al(Si2O5)6
  • Formula Anonymous: ABC2D2E12F30
  • Spacegroup Number: 37
  • Spacegroup Symbol: Ccc2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -775.6688032500001
  • Final energy per atom: -8.0798833671875
  • 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.