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  1. Third-Parties
  2. MatprojStructure
  3. mp-1214647

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-1214647
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 5
  • Element list: ['Ba', 'Al', 'Si', 'W', 'O']
  • Chemical System: Al-Ba-O-Si-W
  • Density: 5.656728111223847
  • Atomic Density: 0.058187029030377854
  • Unit Cell Volume: 687.4384320106307
  • Molar Volume: 10.34962750350427
  • Full Formula: Ba2 Al4 Si6 W8 O20
  • Reduced Formula: BaAl2Si3(W2O5)2
  • Formula Anonymous: AB2C3D4E10
  • Spacegroup Number: 18
  • Spacegroup Symbol: P2_12_12
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -310.76553992000004
  • Final energy per atom: -7.769138498000001
  • 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.