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-113786
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Ca', 'Ga', 'Si']
  • Chemical System: Ca-Ga-Si
  • Density: 2.9682784091554995
  • Atomic Density: 0.040177429545736686
  • Unit Cell Volume: 99.55838502427163
  • Molar Volume: 14.988865211360995
  • Full Formula: Ca2 Ga1 Si1
  • Reduced Formula: Ca2GaSi
  • Formula Anonymous: ABC2
  • Spacegroup Number: 38
  • Spacegroup Symbol: Amm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2