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-1241305
  • Created at: Sept. 4, 2022, 3:41 p.m.
  • Last updated at: Sept. 4, 2022, 3:41 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 6
  • Number of elements: 2
  • Element list: ['As', 'Cs']
  • Chemical System: As-Cs
  • Density: 1.1408723138091745
  • Atomic Density: 0.006049167826987955
  • Unit Cell Volume: 991.8719684435607
  • Molar Volume: 99.55321016442335
  • Full Formula: Cs4 As2
  • Reduced Formula: Cs2As
  • Formula Anonymous: AB2
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m