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-88894
  • 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: 8
  • Number of elements: 3
  • Element list: ['Cu', 'Sb', 'Se']
  • Chemical System: Cu-Sb-Se
  • Density: 5.573320211986807
  • Atomic Density: 0.0427396226636865
  • Unit Cell Volume: 187.17993986402595
  • Molar Volume: 14.090299316368744
  • Full Formula: Cu3 Sb1 Se4
  • Reduced Formula: Cu3SbSe4
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 121
  • Spacegroup Symbol: I-42m
  • Crystal System: tetragonal
  • Pointgroup: -42m