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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-108172
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Ba', 'Fe', 'N']
  • Chemical System: Ba-Fe-N
  • Density: 5.3594853987733115
  • Atomic Density: 0.05825276843936868
  • Unit Cell Volume: 171.66566101331847
  • Molar Volume: 10.337947742806481
  • Full Formula: Ba2 Fe4 N4
  • Reduced Formula: Ba(FeN)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 140
  • Spacegroup Symbol: I4/mcm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm