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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-22087
  • 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', 'Cu', 'P']
  • Chemical System: Ba-Cu-P
  • Density: 6.229092349946234
  • Atomic Density: 0.06336647980769183
  • Unit Cell Volume: 205.15578645765288
  • Molar Volume: 9.503669413665287
  • Full Formula: Ba1 Cu8 P4
  • Reduced Formula: Ba(Cu2P)4
  • Formula Anonymous: AB4C8
  • Spacegroup Number: 87
  • Spacegroup Symbol: I4/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m