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  1. Third-Parties
  2. MatprojStructure
  3. mp-1214286

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-1214286
  • 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: 33
  • Number of elements: 4
  • Element list: ['Ca', 'Si', 'W', 'O']
  • Chemical System: Ca-O-Si-W
  • Density: 5.025511037698233
  • Atomic Density: 0.06401690019488374
  • Unit Cell Volume: 515.4888771486842
  • Molar Volume: 9.407110843647647
  • Full Formula: Ca5 Si6 W5 O17
  • Reduced Formula: Ca5Si6W5O17
  • Formula Anonymous: A5B5C6D17
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -257.02225395
  • Final energy per atom: -7.788553149999999
  • 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.