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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-34182
  • 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: ['Ni', 'P', 'O']
  • Chemical System: Ni-O-P
  • Density: 2.5121902505677287
  • Atomic Density: 0.06653171342885596
  • Unit Cell Volume: 195.39553890944396
  • Molar Volume: 9.051534147605603
  • Full Formula: Ni1 P3 O9
  • Reduced Formula: Ni(PO3)3
  • Formula Anonymous: AB3C9
  • Spacegroup Number: 146
  • Spacegroup Symbol: R3H
  • Crystal System: trigonal
  • Pointgroup: 3