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-49238
  • 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: 23
  • Number of elements: 4
  • Element list: ['Zn', 'P', 'S', 'N']
  • Chemical System: N-P-S-Zn
  • Density: 3.8600101653914676
  • Atomic Density: 0.08255516904463557
  • Unit Cell Volume: 278.60157354368033
  • Molar Volume: 7.294686486250152
  • Full Formula: Zn4 P6 S1 N12
  • Reduced Formula: Zn4P6SN12
  • Formula Anonymous: AB4C6D12
  • Spacegroup Number: 217
  • Spacegroup Symbol: I-43m
  • Crystal System: cubic
  • Pointgroup: -43m