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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-120717
  • 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: ['Zr', 'S', 'O']
  • Chemical System: O-S-Zr
  • Density: 3.127348009344772
  • Atomic Density: 0.07549724939133201
  • Unit Cell Volume: 317.8923761261624
  • Molar Volume: 7.976635981510889
  • Full Formula: Zr2 S4 O18
  • Reduced Formula: ZrS2O9
  • Formula Anonymous: AB2C9
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1