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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-22728
  • 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: 7
  • Number of elements: 3
  • Element list: ['Ca', 'Sn', 'S']
  • Chemical System: Ca-S-Sn
  • Density: 3.0786566989401662
  • Atomic Density: 0.03967300917505543
  • Unit Cell Volume: 176.44237595169056
  • Molar Volume: 15.179440342998852
  • Full Formula: Ca2 Sn1 S4
  • Reduced Formula: Ca2SnS4
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 65
  • Spacegroup Symbol: Cmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm