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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1753357
  • Created at: Sept. 4, 2022, 4:03 p.m.
  • Last updated at: Sept. 4, 2022, 4:03 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['N', 'Ni', 'S']
  • Chemical System: N-Ni-S
  • Density: 5.560485150509083
  • Atomic Density: 0.09434532596201267
  • Unit Cell Volume: 105.99359213647122
  • Molar Volume: 6.383083315038589
  • Full Formula: Ni4 S2 N4
  • Reduced Formula: Ni2SN2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm