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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-49385
  • 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: 24
  • Number of elements: 3
  • Element list: ['Ca', 'Ga', 'N']
  • Chemical System: Ca-Ga-N
  • Density: 3.023777556843752
  • Atomic Density: 0.05747009173959541
  • Unit Cell Volume: 417.60852077193783
  • Molar Volume: 10.47873872776664
  • Full Formula: Ca12 Ga2 N10
  • Reduced Formula: Ca6GaN5
  • Formula Anonymous: AB5C6
  • Spacegroup Number: 193
  • Spacegroup Symbol: P6_3/mcm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm