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-91792
  • 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: 8
  • Number of elements: 3
  • Element list: ['Rb', 'Cu', 'Se']
  • Chemical System: Cu-Rb-Se
  • Density: 5.837497190954271
  • Atomic Density: 0.04878028206899224
  • Unit Cell Volume: 164.00069168696535
  • Molar Volume: 12.34544062595334
  • Full Formula: Rb1 Cu4 Se3
  • Reduced Formula: RbCu4Se3
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm