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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-49833
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 9
  • Number of elements: 3
  • Element list: ['Sr', 'Ca', 'I']
  • Chemical System: Ca-I-Sr
  • Density: 4.036634769441186
  • Atomic Density: 0.02354519813878431
  • Unit Cell Volume: 382.24354481752897
  • Molar Volume: 25.576938127694753
  • Full Formula: Sr1 Ca2 I6
  • Reduced Formula: SrCa2I6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 162
  • Spacegroup Symbol: P-31m
  • Crystal System: trigonal
  • Pointgroup: -31m