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-1215225
  • Created at: Sept. 4, 2022, 3:39 p.m.
  • Last updated at: Sept. 4, 2022, 3:39 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 2
  • Number of elements: 1
  • Element list: ['Ca']
  • Chemical System: Ca
  • Density: 1.678375900971017
  • Atomic Density: 0.02521936206230898
  • Unit Cell Volume: 79.30414714926728
  • Molar Volume: 23.879036849232016
  • Full Formula: Ca2
  • Reduced Formula: Ca
  • Formula Anonymous: A
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm