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-10085
  • 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: 18
  • Number of elements: 4
  • Element list: ['Rb', 'Ti', 'Cu', 'S']
  • Chemical System: Cu-Rb-S-Ti
  • Density: 3.793070029414163
  • Atomic Density: 0.04335750717974043
  • Unit Cell Volume: 415.15301895425443
  • Molar Volume: 13.88949953934149
  • Full Formula: Rb4 Ti2 Cu4 S8
  • Reduced Formula: Rb2Ti(CuS2)2
  • Formula Anonymous: AB2C2D4
  • Spacegroup Number: 132
  • Spacegroup Symbol: P4_2/mcm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm