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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-111098
  • 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: 8
  • Number of elements: 3
  • Element list: ['Ca', 'Pb', 'Se']
  • Chemical System: Ca-Pb-Se
  • Density: 6.998124479779354
  • Atomic Density: 0.03449036493469952
  • Unit Cell Volume: 231.9488360052545
  • Molar Volume: 17.460356744272485
  • Full Formula: Ca1 Pb3 Se4
  • Reduced Formula: CaPb3Se4
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 65
  • Spacegroup Symbol: Cmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm