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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-62904
  • 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: ['Cd', 'B', 'O']
  • Chemical System: B-Cd-O
  • Density: 5.679647891219463
  • Atomic Density: 0.08271713132680016
  • Unit Cell Volume: 265.966670351297
  • Molar Volume: 7.28040330147286
  • Full Formula: Cd6 B4 O12
  • Reduced Formula: Cd3(BO3)2
  • Formula Anonymous: A2B3C6
  • Spacegroup Number: 58
  • Spacegroup Symbol: Pnnm
  • Crystal System: orthorhombic
  • Pointgroup: mmm