Download Simmate

You can install Simmate to host your own server and access advanced features

learn more

Entry Data

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

Base Information:

  • Database Entry ID: jvasp-12493
  • 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: 10
  • Number of elements: 4
  • Element list: ['Pb', 'Cl', 'O', 'F']
  • Chemical System: Cl-F-O-Pb
  • Density: 7.621841672431311
  • Atomic Density: 0.047333945942483656
  • Unit Cell Volume: 211.26487134943667
  • Molar Volume: 12.722667929095985
  • Full Formula: Pb4 Cl2 O2 F2
  • Reduced Formula: Pb2ClOF
  • Formula Anonymous: ABCD2
  • Spacegroup Number: 67
  • Spacegroup Symbol: Cmme
  • Crystal System: orthorhombic
  • Pointgroup: mmm