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-94913
  • 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: 7
  • Number of elements: 4
  • Element list: ['Cu', 'Mo', 'S', 'N']
  • Chemical System: Cu-Mo-N-S
  • Density: 3.114411283630078
  • Atomic Density: 0.043508463051776705
  • Unit Cell Volume: 160.88823895410272
  • Molar Volume: 13.841308880144597
  • Full Formula: Cu1 Mo1 S4 N1
  • Reduced Formula: CuMoS4N
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 82
  • Spacegroup Symbol: I-4
  • Crystal System: tetragonal
  • Pointgroup: -4