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-101122
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 7
  • Number of elements: 3
  • Element list: ['Si', 'P', 'Ir']
  • Chemical System: Ir-P-Si
  • Density: 5.131221606343938
  • Atomic Density: 0.05855701806355394
  • Unit Cell Volume: 119.54160630930113
  • Molar Volume: 10.284233998158792
  • Full Formula: Si3 P3 Ir1
  • Reduced Formula: Si3P3Ir
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1