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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-105564
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Ca', 'Pb', 'N']
  • Chemical System: Ca-N-Pb
  • Density: 5.886577086380665
  • Atomic Density: 0.05620360729516836
  • Unit Cell Volume: 177.92452266421816
  • Molar Volume: 10.714865201397318
  • Full Formula: Ca4 Pb2 N4
  • Reduced Formula: Ca2PbN2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 59
  • Spacegroup Symbol: Pmmn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm