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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-5566
  • 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: 28
  • Number of elements: 3
  • Element list: ['Al', 'Te', 'I']
  • Chemical System: Al-I-Te
  • Density: 4.190091262369966
  • Atomic Density: 0.0299049367826359
  • Unit Cell Volume: 936.3002571621556
  • Molar Volume: 20.137614079481065
  • Full Formula: Al12 Te12 I4
  • Reduced Formula: Al3Te3I
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm