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  1. Third-Parties
  2. MatprojStructure
  3. mp-1215045

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-1215045
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 68
  • Number of elements: 5
  • Element list: ['Ca', 'Al', 'Si', 'W', 'O']
  • Chemical System: Al-Ca-O-Si-W
  • Density: 5.820415745971898
  • Atomic Density: 0.05878970079020375
  • Unit Cell Volume: 1156.6651826084983
  • Molar Volume: 10.243530208616885
  • Full Formula: Ca4 Al8 Si8 W16 O32
  • Reduced Formula: CaAl2Si2(WO2)4
  • Formula Anonymous: AB2C2D4E8
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -539.56164304
  • Final energy per atom: -7.934730044705883
  • 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.