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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-60794
  • 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: 15
  • Number of elements: 4
  • Element list: ['Ca', 'B', 'H', 'N']
  • Chemical System: B-Ca-H-N
  • Density: 1.3475550547835162
  • Atomic Density: 0.12198023641826275
  • Unit Cell Volume: 122.97074051050303
  • Molar Volume: 4.936980724771224
  • Full Formula: Ca1 B2 H10 N2
  • Reduced Formula: CaB2(H5N)2
  • Formula Anonymous: AB2C2D10
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2