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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-59846
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 44
  • Number of elements: 4
  • Element list: ['Ca', 'Ni', 'P', 'O']
  • Chemical System: Ca-Ni-O-P
  • Density: 3.559048660612906
  • Atomic Density: 0.08645078222706422
  • Unit Cell Volume: 508.9601142582304
  • Molar Volume: 6.965976021110787
  • Full Formula: Ca4 Ni4 P8 O28
  • Reduced Formula: CaNiP2O7
  • Formula Anonymous: ABC2D7
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m