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-70778
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Ca', 'Be', 'Si']
  • Chemical System: Be-Ca-Si
  • Density: 2.5343167797655624
  • Atomic Density: 0.057996735713845074
  • Unit Cell Volume: 68.96939889403316
  • Molar Volume: 10.3835857068114
  • Full Formula: Ca1 Be1 Si2
  • Reduced Formula: CaBeSi2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm