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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-11068
  • 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: 10
  • Number of elements: 3
  • Element list: ['Ba', 'Be', 'N']
  • Chemical System: Ba-Be-N
  • Density: 4.453410042702771
  • Atomic Density: 0.07313035929962475
  • Unit Cell Volume: 136.74211498166827
  • Molar Volume: 8.23480264239711
  • Full Formula: Ba2 Be4 N4
  • Reduced Formula: Ba(BeN)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 140
  • Spacegroup Symbol: I4/mcm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm