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  1. Third-Parties
  2. MatprojStructure
  3. mp-1041873

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-1041873
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 4
  • Element list: ['Mg', 'Si', 'W', 'O']
  • Chemical System: Mg-O-Si-W
  • Density: 4.9680172256348865
  • Atomic Density: 0.08303377580459907
  • Unit Cell Volume: 963.4633524104894
  • Molar Volume: 7.252639906646815
  • Full Formula: Mg8 Si16 W8 O48
  • Reduced Formula: MgSi2WO6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -647.01804239
  • Final energy per atom: -8.087725529875
  • 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.