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-75607
  • 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: ['Cd', 'B', 'As']
  • Chemical System: As-B-Cd
  • Density: 5.6455134732323815
  • Atomic Density: 0.06508222706756568
  • Unit Cell Volume: 61.46071178307044
  • Molar Volume: 9.253126439186019
  • Full Formula: Cd1 B2 As1
  • Reduced Formula: CdB2As
  • Formula Anonymous: ABC2
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m