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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-23768
  • 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: 14
  • Number of elements: 3
  • Element list: ['Ca', 'Cu', 'P']
  • Chemical System: Ca-Cu-P
  • Density: 5.75118253318786
  • Atomic Density: 0.068061351257682
  • Unit Cell Volume: 205.69676830240476
  • Molar Volume: 8.84810637567277
  • Full Formula: Ca2 Cu8 P4
  • Reduced Formula: Ca(Cu2P)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 136
  • Spacegroup Symbol: P4_2/mnm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm