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-9127
  • 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: 12
  • Number of elements: 2
  • Element list: ['Ca', 'Si']
  • Chemical System: Ca-Si
  • Density: 2.2050788793455234
  • Atomic Density: 0.03680463242724141
  • Unit Cell Volume: 326.0459134790339
  • Molar Volume: 16.36245320994603
  • Full Formula: Ca8 Si4
  • Reduced Formula: Ca2Si
  • Formula Anonymous: AB2
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm