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  1. Third-Parties
  2. MatprojStructure
  3. mp-694056

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-694056
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 96
  • Number of elements: 5
  • Element list: ['Ba', 'Mg', 'Al', 'Si', 'O']
  • Chemical System: Al-Ba-Mg-O-Si
  • Density: 2.7113998622250013
  • Atomic Density: 0.07253200722585607
  • Unit Cell Volume: 1323.5536099403314
  • Molar Volume: 8.302735565069595
  • Full Formula: Ba2 Mg4 Al12 Si18 O60
  • Reduced Formula: BaMg2Al6(Si3O10)3
  • Formula Anonymous: AB2C6D9E30
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -769.09670372
  • Final energy per atom: -8.011423997083334
  • 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.