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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-97868
  • 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: 42
  • Number of elements: 5
  • Element list: ['Ca', 'As', 'Pb', 'Cl', 'O']
  • Chemical System: As-Ca-Cl-O-Pb
  • Density: 5.863974244512392
  • Atomic Density: 0.0642641862285365
  • Unit Cell Volume: 653.552195473844
  • Molar Volume: 9.370912655120295
  • Full Formula: Ca4 As6 Pb6 Cl2 O24
  • Reduced Formula: Ca2As3Pb3ClO12
  • Formula Anonymous: AB2C3D3E12
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m