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: ['formation_energy']

Base Information:

  • Database Entry ID: oqmd-1527858
  • Created at: Sept. 4, 2022, 3:54 p.m.
  • Last updated at: Sept. 4, 2022, 3:54 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 12
  • Number of elements: 6
  • Element list: ['Ca', 'N', 'Pb', 'Sn', 'Sr', 'Yb']
  • Chemical System: Ca-N-Pb-Sn-Sr-Yb
  • Density: 6.5350776302009175
  • Atomic Density: 0.03777432093617884
  • Unit Cell Volume: 317.6761276602287
  • Molar Volume: 15.942419640513554
  • Full Formula: Sr3 Ca2 Yb2 Sn1 Pb2 N2
  • Reduced Formula: Sr3Ca2Yb2Sn(PbN)2
  • Formula Anonymous: AB2C2D2E2F3
  • Spacegroup Number: 65
  • Spacegroup Symbol: Cmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm