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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-94922
  • 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: 7
  • Number of elements: 3
  • Element list: ['Pd', 'Br', 'N']
  • Chemical System: Br-N-Pd
  • Density: 4.486644350526295
  • Atomic Density: 0.04165503286599602
  • Unit Cell Volume: 168.04692058505768
  • Molar Volume: 14.4571744292537
  • Full Formula: Pd1 Br4 N2
  • Reduced Formula: Pd(Br2N)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm