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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-106715
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Th', 'Cu', 'Si']
  • Chemical System: Cu-Si-Th
  • Density: 8.30896395295812
  • Atomic Density: 0.04906634964147478
  • Unit Cell Volume: 122.28339878229546
  • Molar Volume: 12.273464001303266
  • Full Formula: Th2 Cu1 Si3
  • Reduced Formula: Th2CuSi3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2