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-67682
  • 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: 3
  • Number of elements: 3
  • Element list: ['Na', 'Sc', 'Be']
  • Chemical System: Be-Na-Sc
  • Density: 1.9863829023002526
  • Atomic Density: 0.046631794082641106
  • Unit Cell Volume: 64.33378897417896
  • Molar Volume: 12.914237760888057
  • Full Formula: Na1 Sc1 Be1
  • Reduced Formula: NaScBe
  • Formula Anonymous: ABC
  • Spacegroup Number: 107
  • Spacegroup Symbol: I4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm