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-102317
  • 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: ['Y', 'As', 'S']
  • Chemical System: As-S-Y
  • Density: 5.1662567542414175
  • Atomic Density: 0.04369678525060601
  • Unit Cell Volume: 91.53991482576
  • Molar Volume: 13.781656305978439
  • Full Formula: Y2 As1 S1
  • Reduced Formula: Y2AsS
  • Formula Anonymous: ABC2
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m