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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-56505
  • 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: 20
  • Number of elements: 3
  • Element list: ['Ag', 'Te', 'I']
  • Chemical System: Ag-I-Te
  • Density: 5.898927732219036
  • Atomic Density: 0.028761127940430897
  • Unit Cell Volume: 695.3830197975317
  • Molar Volume: 20.938472136673017
  • Full Formula: Ag4 Te12 I4
  • Reduced Formula: AgTe3I
  • Formula Anonymous: ABC3
  • Spacegroup Number: 53
  • Spacegroup Symbol: Pmna
  • Crystal System: orthorhombic
  • Pointgroup: mmm