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-12488
  • 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: ['Bi', 'Pb', 'Cl', 'O']
  • Chemical System: Bi-Cl-O-Pb
  • Density: 8.059202604242502
  • Atomic Density: 0.05017620054338723
  • Unit Cell Volume: 199.2976728350132
  • Molar Volume: 12.001986389528778
  • Full Formula: Bi2 Pb2 Cl2 O4
  • Reduced Formula: BiPbClO2
  • Formula Anonymous: ABCD2
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm