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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-24788
  • 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: 18
  • Number of elements: 3
  • Element list: ['Ba', 'Cu', 'P']
  • Chemical System: Ba-Cu-P
  • Density: 5.313736379959
  • Atomic Density: 0.04888101614792121
  • Unit Cell Volume: 368.2411172781132
  • Molar Volume: 12.319999121491477
  • Full Formula: Ba4 Cu6 P8
  • Reduced Formula: Ba2Cu3P4
  • Formula Anonymous: A2B3C4
  • Spacegroup Number: 72
  • Spacegroup Symbol: Ibam
  • Crystal System: orthorhombic
  • Pointgroup: mmm