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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204499

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-1204499
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 120
  • Number of elements: 4
  • Element list: ['Ba', 'Al', 'Si', 'O']
  • Chemical System: Al-Ba-O-Si
  • Density: 3.3363459923316885
  • Atomic Density: 0.07396623451680966
  • Unit Cell Volume: 1622.3618896366645
  • Molar Volume: 8.141743052542981
  • Full Formula: Ba8 Al16 Si16 O80
  • Reduced Formula: BaAl2(SiO5)2
  • Formula Anonymous: AB2C2D10
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -874.44768511
  • Final energy per atom: -7.287064042583333
  • 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.