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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-63287
  • 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: 22
  • Number of elements: 3
  • Element list: ['Ca', 'B', 'H']
  • Chemical System: B-Ca-H
  • Density: 1.1439328220105187
  • Atomic Density: 0.10862148188857498
  • Unit Cell Volume: 202.53820531161435
  • Molar Volume: 5.544152643928733
  • Full Formula: Ca2 B4 H16
  • Reduced Formula: Ca(BH4)2
  • Formula Anonymous: AB2C8
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m