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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-119664
  • 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: 30
  • Number of elements: 5
  • Element list: ['Ba', 'Ca', 'Ta', 'Ru', 'O']
  • Chemical System: Ba-Ca-O-Ru-Ta
  • Density: 6.109413327896996
  • Atomic Density: 0.06584593476288998
  • Unit Cell Volume: 455.6089925373443
  • Molar Volume: 9.14580494860559
  • Full Formula: Ba6 Ca2 Ta1 Ru3 O18
  • Reduced Formula: Ba6Ca2Ta(RuO6)3
  • Formula Anonymous: AB2C3D6E18
  • Spacegroup Number: 156
  • Spacegroup Symbol: P3m1
  • Crystal System: trigonal
  • Pointgroup: 3m1