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-70910
  • 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: ['Sc', 'Be', 'In']
  • Chemical System: Be-In-Sc
  • Density: 4.534623336161347
  • Atomic Density: 0.051104863371370324
  • Unit Cell Volume: 78.27043721715255
  • Molar Volume: 11.783889756710884
  • Full Formula: Sc2 Be1 In1
  • Reduced Formula: Sc2BeIn
  • Formula Anonymous: ABC2
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm