Download Simmate

You can install Simmate to host your own server and access advanced features

learn more

Entry Data

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

Base Information:

  • Database Entry ID: jvasp-12891
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 16
  • Number of elements: 2
  • Element list: ['Pt', 'I']
  • Chemical System: I-Pt
  • Density: 7.074881644008843
  • Atomic Density: 0.029597863689789894
  • Unit Cell Volume: 540.5795555954052
  • Molar Volume: 20.346538598586093
  • Full Formula: Pt4 I12
  • Reduced Formula: PtI3
  • Formula Anonymous: AB3
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m