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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-63373
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 9
  • Number of elements: 3
  • Element list: ['Ni', 'As', 'O']
  • Chemical System: As-Ni-O
  • Density: 5.611996995156412
  • Atomic Density: 0.09987952791680173
  • Unit Cell Volume: 90.10855565413641
  • Molar Volume: 6.029404509216704
  • Full Formula: Ni1 As2 O6
  • Reduced Formula: Ni(AsO3)2
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 162
  • Spacegroup Symbol: P-31m
  • Crystal System: trigonal
  • Pointgroup: -31m