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-70725
  • 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', 'Ni']
  • Chemical System: Be-Ca-Ni
  • Density: 3.4927726000861696
  • Atomic Density: 0.07203675040015661
  • Unit Cell Volume: 55.52721323186316
  • Molar Volume: 8.359817352320363
  • Full Formula: Ca1 Be2 Ni1
  • Reduced Formula: CaBe2Ni
  • Formula Anonymous: ABC2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm