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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-40197
  • 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: 24
  • Number of elements: 3
  • Element list: ['Ca', 'Sn', 'S']
  • Chemical System: Ca-S-Sn
  • Density: 3.346859643256342
  • Atomic Density: 0.041549455272366455
  • Unit Cell Volume: 577.6249012814814
  • Molar Volume: 14.493910258325773
  • Full Formula: Ca6 Sn4 S14
  • Reduced Formula: Ca3Sn2S7
  • Formula Anonymous: A2B3C7
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm