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-91616
  • 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: 8
  • Number of elements: 3
  • Element list: ['Na', 'Hg', 'Pb']
  • Chemical System: Hg-Na-Pb
  • Density: 6.5592955116049945
  • Atomic Density: 0.03482031958013342
  • Unit Cell Volume: 229.7509068401648
  • Molar Volume: 17.29490375911399
  • Full Formula: Na4 Hg2 Pb2
  • Reduced Formula: Na2HgPb
  • Formula Anonymous: ABC2
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm