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-97817
  • 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: 28
  • Number of elements: 3
  • Element list: ['As', 'Pb', 'O']
  • Chemical System: As-O-Pb
  • Density: 5.919257878945276
  • Atomic Density: 0.05926414472860194
  • Unit Cell Volume: 472.46104922672913
  • Molar Volume: 10.161524793073756
  • Full Formula: As8 Pb4 O16
  • Reduced Formula: As2PbO4
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m