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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-86716
  • 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: 14
  • Number of elements: 3
  • Element list: ['Ba', 'Cu', 'P']
  • Chemical System: Ba-Cu-P
  • Density: 4.739422060612653
  • Atomic Density: 0.05145069267734908
  • Unit Cell Volume: 272.10518015364704
  • Molar Volume: 11.704683545788722
  • Full Formula: Ba2 Cu4 P8
  • Reduced Formula: Ba(CuP2)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 70
  • Spacegroup Symbol: Fddd1
  • Crystal System: orthorhombic
  • Pointgroup: mmm