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-100230
  • 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: 4
  • Number of elements: 2
  • Element list: ['Sr', 'Ca']
  • Chemical System: Ca-Sr
  • Density: 2.540980162405716
  • Atomic Density: 0.020204979516155748
  • Unit Cell Volume: 197.97100001025146
  • Molar Volume: 29.805230711492392
  • Full Formula: Sr3 Ca1
  • Reduced Formula: Sr3Ca
  • Formula Anonymous: AB3
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm