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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-36445
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 5
  • Number of elements: 2
  • Element list: ['Ca', 'N']
  • Chemical System: Ca-N
  • Density: 2.5851468968600977
  • Atomic Density: 0.052507222735605215
  • Unit Cell Volume: 95.22499457221328
  • Molar Volume: 11.469166423682084
  • Full Formula: Ca3 N2
  • Reduced Formula: Ca3N2
  • Formula Anonymous: A2B3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m