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-75027
  • 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', 'Cd']
  • Chemical System: Be-Cd-Sc
  • Density: 4.811964928730184
  • Atomic Density: 0.06608841854371554
  • Unit Cell Volume: 60.524976813511095
  • Molar Volume: 9.112248246667502
  • Full Formula: Sc1 Be2 Cd1
  • Reduced Formula: ScBe2Cd
  • Formula Anonymous: ABC2
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm