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: ['formation_energy']

Base Information:

  • Database Entry ID: oqmd-1240526
  • Created at: Sept. 4, 2022, 3:40 p.m.
  • Last updated at: Sept. 4, 2022, 3:40 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 6
  • Number of elements: 2
  • Element list: ['I', 'Pr']
  • Chemical System: I-Pr
  • Density: 1.9732728122385326
  • Atomic Density: 0.008722352704363764
  • Unit Cell Volume: 687.8877985521292
  • Molar Volume: 69.0426191661241
  • Full Formula: Pr4 I2
  • Reduced Formula: Pr2I
  • Formula Anonymous: AB2
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m