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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228316

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-1228316
  • 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: 54
  • Number of elements: 3
  • Element list: ['Ba', 'Si', 'Au']
  • Chemical System: Au-Ba-Si
  • Density: 3.966690381080441
  • Atomic Density: 0.04728017435747535
  • Unit Cell Volume: 1142.1277677979247
  • Molar Volume: 12.737137377006848
  • Full Formula: Ba8 Si44 Au2
  • Reduced Formula: Ba4Si22Au
  • Formula Anonymous: AB4C22
  • Spacegroup Number: 40
  • Spacegroup Symbol: Ama2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -270.13344223
  • Final energy per atom: -5.0024711524074075
  • 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.