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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-45407
  • 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: 20
  • Number of elements: 4
  • Element list: ['K', 'Ta', 'B', 'O']
  • Chemical System: B-K-O-Ta
  • Density: 5.42818587906419
  • Atomic Density: 0.07482500598273104
  • Unit Cell Volume: 267.29032276476966
  • Molar Volume: 8.048299737376377
  • Full Formula: K3 Ta3 B2 O12
  • Reduced Formula: K3Ta3(BO6)2
  • Formula Anonymous: A2B3C3D12
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m