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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-98464
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 26
  • Number of elements: 3
  • Element list: ['Ta', 'Pd', 'Se']
  • Chemical System: Pd-Se-Ta
  • Density: 7.300273534445024
  • Atomic Density: 0.04353344037030225
  • Unit Cell Volume: 597.2420231169403
  • Molar Volume: 13.833367426913032
  • Full Formula: Ta4 Pd6 Se16
  • Reduced Formula: Ta2Pd3Se8
  • Formula Anonymous: A2B3C8
  • Spacegroup Number: 55
  • Spacegroup Symbol: Pbam
  • Crystal System: orthorhombic
  • Pointgroup: mmm