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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-60702
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 44
  • Number of elements: 3
  • Element list: ['Pd', 'Se', 'Cl']
  • Chemical System: Cl-Pd-Se
  • Density: 4.471057385512949
  • Atomic Density: 0.036610198965139354
  • Unit Cell Volume: 1201.8508842821996
  • Molar Volume: 16.449352721995176
  • Full Formula: Pd4 Se32 Cl8
  • Reduced Formula: Pd(Se4Cl)2
  • Formula Anonymous: AB2C8
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm