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-12334
  • 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: ['Pb', 'Se', 'O']
  • Chemical System: O-Pb-Se
  • Density: 6.897779199953634
  • Atomic Density: 0.06215528645994039
  • Unit Cell Volume: 160.88736082722562
  • Molar Volume: 9.688863334064628
  • Full Formula: Pb2 Se2 O6
  • Reduced Formula: PbSeO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m