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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-52881
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 15
  • Number of elements: 5
  • Element list: ['K', 'Ca', 'P', 'H', 'O']
  • Chemical System: Ca-H-K-O-P
  • Density: 2.7510093120146832
  • Atomic Density: 0.07134299984402595
  • Unit Cell Volume: 210.25188221400612
  • Molar Volume: 8.441109531651236
  • Full Formula: K3 Ca1 P2 H1 O8
  • Reduced Formula: K3CaP2HO8
  • Formula Anonymous: ABC2D3E8
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m