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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-92635
  • 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: 5
  • Number of elements: 3
  • Element list: ['Ca', 'Si', 'Ir']
  • Chemical System: Ca-Ir-Si
  • Density: 5.897674124535895
  • Atomic Density: 0.056099282023365414
  • Unit Cell Volume: 89.1277003851403
  • Molar Volume: 10.734791146688423
  • Full Formula: Ca1 Si3 Ir1
  • Reduced Formula: CaSi3Ir
  • Formula Anonymous: ABC3
  • Spacegroup Number: 107
  • Spacegroup Symbol: I4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm