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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-22917
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 56
  • Number of elements: 3
  • Element list: ['Na', 'Al', 'As']
  • Chemical System: Al-As-Na
  • Density: 3.3449601787399783
  • Atomic Density: 0.04342578593391879
  • Unit Cell Volume: 1289.5563959444614
  • Molar Volume: 13.867660954171143
  • Full Formula: Na16 Al16 As24
  • Reduced Formula: Na2Al2As3
  • Formula Anonymous: A2B2C3
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m