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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-114715
  • 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: 4
  • Number of elements: 3
  • Element list: ['Ca', 'Ti', 'N']
  • Chemical System: Ca-N-Ti
  • Density: 3.793299677949679
  • Atomic Density: 0.07879993036595868
  • Unit Cell Volume: 50.76146617672631
  • Molar Volume: 7.642317362505622
  • Full Formula: Ca1 Ti1 N2
  • Reduced Formula: CaTiN2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm