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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-98684
  • 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: 24
  • Number of elements: 4
  • Element list: ['Ba', 'Ca', 'Pd', 'O']
  • Chemical System: Ba-Ca-O-Pd
  • Density: 6.324057680768066
  • Atomic Density: 0.06260543133195912
  • Unit Cell Volume: 383.3533207804667
  • Molar Volume: 9.619198577305848
  • Full Formula: Ba4 Ca2 Pd6 O12
  • Reduced Formula: Ba2Ca(PdO2)3
  • Formula Anonymous: AB2C3D6
  • Spacegroup Number: 69
  • Spacegroup Symbol: Fmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm