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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-102235
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Ca', 'Cr', 'N']
  • Chemical System: Ca-Cr-N
  • Density: 4.0238567350276675
  • Atomic Density: 0.08071525067899583
  • Unit Cell Volume: 99.11385931037942
  • Molar Volume: 7.460970150424267
  • Full Formula: Ca2 Cr2 N4
  • Reduced Formula: CaCrN2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm