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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-11504
  • 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: 13
  • Number of elements: 3
  • Element list: ['Ba', 'Ti', 'O']
  • Chemical System: Ba-O-Ti
  • Density: 4.7060014829234476
  • Atomic Density: 0.067445768191473
  • Unit Cell Volume: 192.7474524879614
  • Molar Volume: 8.928863769337813
  • Full Formula: Ba2 Ti3 O8
  • Reduced Formula: Ba2Ti3O8
  • Formula Anonymous: A2B3C8
  • Spacegroup Number: 25
  • Spacegroup Symbol: Pmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2