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-112519
  • 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: 20
  • Number of elements: 3
  • Element list: ['Pr', 'Ge', 'Ir']
  • Chemical System: Ge-Ir-Pr
  • Density: 10.626898991476786
  • Atomic Density: 0.05238474826643833
  • Unit Cell Volume: 381.7905146413298
  • Molar Volume: 11.495981100014644
  • Full Formula: Pr4 Ge10 Ir6
  • Reduced Formula: Pr2Ge5Ir3
  • Formula Anonymous: A2B3C5
  • Spacegroup Number: 72
  • Spacegroup Symbol: Ibam
  • Crystal System: orthorhombic
  • Pointgroup: mmm