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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-9368
  • 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: 14
  • Number of elements: 4
  • Element list: ['Ba', 'Zn', 'Ni', 'O']
  • Chemical System: Ba-Ni-O-Zn
  • Density: 5.568973680931094
  • Atomic Density: 0.08302670599727702
  • Unit Cell Volume: 168.6204436492898
  • Molar Volume: 7.253257476211937
  • Full Formula: Ba1 Zn1 Ni4 O8
  • Reduced Formula: BaZn(NiO2)4
  • Formula Anonymous: ABC4D8
  • Spacegroup Number: 162
  • Spacegroup Symbol: P-31m
  • Crystal System: trigonal
  • Pointgroup: -31m