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  1. Third-Parties
  2. MatprojStructure
  3. mp-16094

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-16094
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 124
  • Number of elements: 2
  • Element list: ['Ba', 'Si']
  • Chemical System: Ba-Si
  • Density: 3.565600318115223
  • Atomic Density: 0.04361766434805491
  • Unit Cell Volume: 2842.8849149399643
  • Molar Volume: 13.806655743749268
  • Full Formula: Ba24 Si100
  • Reduced Formula: Ba6Si25
  • Formula Anonymous: A6B25
  • Spacegroup Number: 213
  • Spacegroup Symbol: P4_132
  • Crystal System: cubic
  • Pointgroup: 432

Thermodynamics:

  • Final energy: -604.5391055399999
  • Final energy per atom: -4.875315367258064
  • 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.