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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-58337
  • 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: 12
  • Number of elements: 5
  • Element list: ['K', 'Y', 'Ti', 'S', 'O']
  • Chemical System: K-O-S-Ti-Y
  • Density: 3.6894233334878592
  • Atomic Density: 0.058370325555266306
  • Unit Cell Volume: 205.58391418663814
  • Molar Volume: 10.317127243530798
  • Full Formula: K1 Y2 Ti2 S2 O5
  • Reduced Formula: KY2Ti2S2O5
  • Formula Anonymous: AB2C2D2E5
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm