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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-20845
  • 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: 36
  • Number of elements: 3
  • Element list: ['Ca', 'N', 'O']
  • Chemical System: Ca-N-O
  • Density: 2.541897266326327
  • Atomic Density: 0.0839605188594747
  • Unit Cell Volume: 428.77295768328264
  • Molar Volume: 7.172586403472921
  • Full Formula: Ca4 N8 O24
  • Reduced Formula: Ca(NO3)2
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 205
  • Spacegroup Symbol: Pa-3
  • Crystal System: cubic
  • Pointgroup: m-3