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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-7799
  • 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: 9
  • Number of elements: 4
  • Element list: ['Ba', 'Zn', 'As', 'O']
  • Chemical System: As-Ba-O-Zn
  • Density: 6.1133824012201705
  • Atomic Density: 0.0507628571650143
  • Unit Cell Volume: 177.29498500732123
  • Molar Volume: 11.863281730624202
  • Full Formula: Ba2 Zn3 As2 O2
  • Reduced Formula: Ba2Zn3(AsO)2
  • Formula Anonymous: A2B2C2D3
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm