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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-40157
  • 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: 21
  • Number of elements: 3
  • Element list: ['Ca', 'Sn', 'S']
  • Chemical System: Ca-S-Sn
  • Density: 3.4880078522975646
  • Atomic Density: 0.044948099466401756
  • Unit Cell Volume: 467.20551590167423
  • Molar Volume: 13.397987526706194
  • Full Formula: Ca6 Sn3 S12
  • Reduced Formula: Ca2SnS4
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m