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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-22987
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Sept. 4, 2022, 2:48 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 9
  • Number of elements: 3
  • Element list: ['Cl', 'Cs', 'Ta']
  • Chemical System: Cl-Cs-Ta
  • Density: 3.9401051407558363
  • Atomic Density: 0.03238185410330436
  • Unit Cell Volume: 277.9334367725907
  • Molar Volume: 18.597269757278905
  • Full Formula: Cs2 Ta1 Cl6
  • Reduced Formula: Cs2TaCl6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m