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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-114447
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 3
  • Number of elements: 3
  • Element list: ['Ba', 'Au', 'O']
  • Chemical System: Au-Ba-O
  • Density: 3.2510697569821514
  • Atomic Density: 0.01676745019443258
  • Unit Cell Volume: 178.9180802812888
  • Molar Volume: 35.91566213209672
  • Full Formula: Ba1 Au1 O1
  • Reduced Formula: BaAuO
  • Formula Anonymous: ABC
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm