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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-57456
  • 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: 20
  • Number of elements: 4
  • Element list: ['K', 'Nb', 'B', 'O']
  • Chemical System: B-K-Nb-O
  • Density: 3.6965225108277764
  • Atomic Density: 0.07303125255821694
  • Unit Cell Volume: 273.8553605397495
  • Molar Volume: 8.245977645254607
  • Full Formula: K3 Nb3 B2 O12
  • Reduced Formula: K3Nb3(BO6)2
  • Formula Anonymous: A2B3C3D12
  • Spacegroup Number: 157
  • Spacegroup Symbol: P31m
  • Crystal System: trigonal
  • Pointgroup: 31m