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-73986
  • 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: ['Sc', 'Be', 'Tc']
  • Chemical System: Be-Sc-Tc
  • Density: 7.075550173458085
  • Atomic Density: 0.06818463657802998
  • Unit Cell Volume: 58.66424169354383
  • Molar Volume: 8.832108026429545
  • Full Formula: Sc1 Be1 Tc2
  • Reduced Formula: ScBeTc2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm