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-98073
  • 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: 20
  • Number of elements: 4
  • Element list: ['Pt', 'C', 'I', 'O']
  • Chemical System: C-I-O-Pt
  • Density: 5.597327097787995
  • Atomic Density: 0.03534040344373808
  • Unit Cell Volume: 565.9244957924716
  • Molar Volume: 17.04038486597146
  • Full Formula: Pt4 C4 I8 O4
  • Reduced Formula: PtCI2O
  • Formula Anonymous: ABCD2
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m