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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199258

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-1199258
  • 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: 60
  • Number of elements: 5
  • Element list: ['Ba', 'Li', 'Ga', 'N', 'F']
  • Chemical System: Ba-F-Ga-Li-N
  • Density: 5.354006705558124
  • Atomic Density: 0.053719066857546016
  • Unit Cell Volume: 1116.9218586597933
  • Molar Volume: 11.210434417950166
  • Full Formula: Ba20 Li4 Ga4 N12 F20
  • Reduced Formula: Ba5LiGaN3F5
  • Formula Anonymous: ABC3D5E5
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -340.11072398
  • Final energy per atom: -5.668512066333333
  • 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.