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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-50021
  • 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: 6
  • Number of elements: 3
  • Element list: ['Ca', 'Pb', 'I']
  • Chemical System: Ca-I-Pb
  • Density: 4.734633793763699
  • Atomic Density: 0.022662169911128266
  • Unit Cell Volume: 264.75840678670835
  • Molar Volume: 26.573539884381617
  • Full Formula: Ca1 Pb1 I4
  • Reduced Formula: CaPbI4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 65
  • Spacegroup Symbol: Cmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm