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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-10878
  • 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: 10
  • Number of elements: 3
  • Element list: ['Ca', 'Be', 'N']
  • Chemical System: Be-Ca-N
  • Density: 2.7002966939291952
  • Atomic Density: 0.0944168990373464
  • Unit Cell Volume: 105.91324330663011
  • Molar Volume: 6.378244595406543
  • Full Formula: Ca2 Be4 N4
  • Reduced Formula: Ca(BeN)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 140
  • Spacegroup Symbol: I4/mcm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm