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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-86545
  • 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: 16
  • Number of elements: 4
  • Element list: ['La', 'B', 'Cl', 'O']
  • Chemical System: B-Cl-La-O
  • Density: 3.975088487944328
  • Atomic Density: 0.07366326680132351
  • Unit Cell Volume: 217.20459456615527
  • Molar Volume: 8.175229013725739
  • Full Formula: La2 B4 Cl2 O8
  • Reduced Formula: LaB2ClO4
  • Formula Anonymous: ABC2D4
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1