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  1. Third-Parties
  2. MatprojStructure
  3. mp-1214742

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-1214742
  • 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: 47
  • Number of elements: 5
  • Element list: ['Ca', 'Al', 'Si', 'W', 'O']
  • Chemical System: Al-Ca-O-Si-W
  • Density: 5.308321484669582
  • Atomic Density: 0.06129251325470677
  • Unit Cell Volume: 766.8146973299513
  • Molar Volume: 9.825246902463324
  • Full Formula: Ca2 Al4 Si8 W9 O24
  • Reduced Formula: Ca2Al4Si8(W3O8)3
  • Formula Anonymous: A2B4C8D9E24
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -382.64130849
  • Final energy per atom: -8.141304435957446
  • 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.