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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-18438
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Al', 'Pd', 'I']
  • Chemical System: Al-I-Pd
  • Density: 8.098121415295894
  • Atomic Density: 0.04799468401236652
  • Unit Cell Volume: 166.68512700153804
  • Molar Volume: 12.547516217521736
  • Full Formula: Al1 Pd5 I2
  • Reduced Formula: AlPd5I2
  • Formula Anonymous: AB2C5
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm