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  1. Third-Parties
  2. MatprojStructure
  3. mp-677292

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-677292
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 81
  • Number of elements: 5
  • Element list: ['Cs', 'Ca', 'Al', 'Si', 'O']
  • Chemical System: Al-Ca-Cs-O-Si
  • Density: 2.054966432507226
  • Atomic Density: 0.0427199524438185
  • Unit Cell Volume: 1896.0695264472504
  • Molar Volume: 14.096787134582573
  • Full Formula: Cs6 Ca3 Al12 Si12 O48
  • Reduced Formula: Cs2CaAl4(SiO4)4
  • Formula Anonymous: AB2C4D4E16
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -617.093795
  • Final energy per atom: -7.618441913580247
  • 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.