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  1. Third-Parties
  2. MatprojStructure
  3. mp-534793

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-534793
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 60
  • Number of elements: 6
  • Element list: ['K', 'Ca', 'Mg', 'Al', 'Si', 'O']
  • Chemical System: Al-Ca-K-Mg-O-Si
  • Density: 3.1829217970492487
  • Atomic Density: 0.08839975856013596
  • Unit Cell Volume: 678.7348854486252
  • Molar Volume: 6.812395031490161
  • Full Formula: K1 Ca5 Mg5 Al1 Si12 O36
  • Reduced Formula: KCa5Mg5Al(SiO3)12
  • Formula Anonymous: ABC5D5E12F36
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -464.27998406
  • Final energy per atom: -7.737999734333333
  • 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.