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  1. Third-Parties
  2. MatprojStructure
  3. mp-1214932

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-1214932
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 66
  • Number of elements: 4
  • Element list: ['Ca', 'Si', 'W', 'O']
  • Chemical System: Ca-O-Si-W
  • Density: 5.073468077837358
  • Atomic Density: 0.06462779549074495
  • Unit Cell Volume: 1021.2324201813685
  • Molar Volume: 9.31818997425404
  • Full Formula: Ca10 Si12 W10 O34
  • Reduced Formula: Ca5Si6W5O17
  • Formula Anonymous: A5B5C6D17
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -513.54837318
  • Final energy per atom: -7.781035957272727
  • 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.