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-74864
  • 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: 3
  • Element list: ['Na', 'Be', 'Re']
  • Chemical System: Be-Na-Re
  • Density: 5.120242767664964
  • Atomic Density: 0.051135963924378865
  • Unit Cell Volume: 78.22283365803565
  • Molar Volume: 11.776722873368913
  • Full Formula: Na2 Be1 Re1
  • Reduced Formula: Na2BeRe
  • Formula Anonymous: ABC2
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm