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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-62989
  • 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: 9
  • Number of elements: 5
  • Element list: ['K', 'Be', 'B', 'O', 'F']
  • Chemical System: B-Be-F-K-O
  • Density: 2.429468859325756
  • Atomic Density: 0.0855431484527208
  • Unit Cell Volume: 105.21006255660846
  • Molar Volume: 7.039886734270018
  • Full Formula: K1 Be2 B1 O3 F2
  • Reduced Formula: KBe2BO3F2
  • Formula Anonymous: ABC2D2E3
  • Spacegroup Number: 155
  • Spacegroup Symbol: R32H
  • Crystal System: trigonal
  • Pointgroup: 32