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-68780
  • 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', 'Nb']
  • Chemical System: Be-Ca-Nb
  • Density: 3.7136592955978185
  • Atomic Density: 0.059239427938030116
  • Unit Cell Volume: 67.52259667639545
  • Molar Volume: 10.165764541649041
  • Full Formula: Ca1 Be2 Nb1
  • Reduced Formula: CaBe2Nb
  • Formula Anonymous: ABC2
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm