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-109916
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 9
  • Number of elements: 4
  • Element list: ['Ba', 'Sc', 'Cu', 'Se']
  • Chemical System: Ba-Cu-Sc-Se
  • Density: 4.6066405981120075
  • Atomic Density: 0.03625010344654007
  • Unit Cell Volume: 248.2751535667415
  • Molar Volume: 16.612754688772593
  • Full Formula: Ba1 Sc1 Cu3 Se4
  • Reduced Formula: BaScCu3Se4
  • Formula Anonymous: ABC3D4
  • Spacegroup Number: 215
  • Spacegroup Symbol: P-43m
  • Crystal System: cubic
  • Pointgroup: -43m