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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-76247
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 14
  • Number of elements: 3
  • Element list: ['Ba', 'Fe', 'N']
  • Chemical System: Ba-Fe-N
  • Density: 5.359500423033046
  • Atomic Density: 0.0443133058649597
  • Unit Cell Volume: 315.9321952341714
  • Molar Volume: 13.589915359399866
  • Full Formula: Ba6 Fe2 N6
  • Reduced Formula: Ba3FeN3
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m