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-109969
  • 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: 4
  • Number of elements: 2
  • Element list: ['Ir', 'Pt']
  • Chemical System: Ir-Pt
  • Density: 20.839851186531657
  • Atomic Density: 0.06456875698252508
  • Unit Cell Volume: 61.94946576225034
  • Molar Volume: 9.326710070676807
  • Full Formula: Ir1 Pt3
  • Reduced Formula: IrPt3
  • Formula Anonymous: AB3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m