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-70800
  • 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: ['Be', 'Nb', 'Fe']
  • Chemical System: Be-Fe-Nb
  • Density: 7.491151220001517
  • Atomic Density: 0.07198751754110969
  • Unit Cell Volume: 55.565188752560225
  • Molar Volume: 8.365534700597163
  • Full Formula: Be1 Nb2 Fe1
  • Reduced Formula: BeNb2Fe
  • Formula Anonymous: ABC2
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm