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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-16256
  • 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: 5
  • Number of elements: 3
  • Element list: ['Ca', 'Tl', 'N']
  • Chemical System: Ca-N-Tl
  • Density: 4.7591574849464395
  • Atomic Density: 0.04231879058079084
  • Unit Cell Volume: 118.15082452449806
  • Molar Volume: 14.230417923931748
  • Full Formula: Ca3 Tl1 N1
  • Reduced Formula: Ca3TlN
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m