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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-116912
  • 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: 27
  • Number of elements: 3
  • Element list: ['Ca', 'Sn', 'S']
  • Chemical System: Ca-S-Sn
  • Density: 2.775530535856609
  • Atomic Density: 0.03767678437029836
  • Unit Cell Volume: 716.6216663990264
  • Molar Volume: 15.98369091378037
  • Full Formula: Ca9 Sn3 S15
  • Reduced Formula: Ca3SnS5
  • Formula Anonymous: AB3C5
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m