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  1. Third-Parties
  2. MatprojStructure
  3. mp-640551

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-640551
  • 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: 54
  • Number of elements: 2
  • Element list: ['Ba', 'Si']
  • Chemical System: Ba-Si
  • Density: 3.524599511242846
  • Atomic Density: 0.0479464866388434
  • Unit Cell Volume: 1126.255619243901
  • Molar Volume: 12.560129390421734
  • Full Formula: Ba8 Si46
  • Reduced Formula: Ba4Si23
  • Formula Anonymous: A4B23
  • Spacegroup Number: 223
  • Spacegroup Symbol: Pm-3n
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -267.7682216
  • Final energy per atom: -4.958670770370371
  • 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.