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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-114493
  • 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: 4
  • Number of elements: 3
  • Element list: ['Cr', 'B', 'O']
  • Chemical System: B-Cr-O
  • Density: 4.9600383541134905
  • Atomic Density: 0.12602611927651175
  • Unit Cell Volume: 31.73945228943905
  • Molar Volume: 4.778486233307656
  • Full Formula: Cr1 B1 O2
  • Reduced Formula: CrBO2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm