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-88380
  • 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: 12
  • Number of elements: 4
  • Element list: ['Na', 'Zr', 'Cu', 'S']
  • Chemical System: Cu-Na-S-Zr
  • Density: 3.8958618464891335
  • Atomic Density: 0.05138387294553657
  • Unit Cell Volume: 233.5363084195539
  • Molar Volume: 11.71990434894439
  • Full Formula: Na2 Zr2 Cu2 S6
  • Reduced Formula: NaZrCuS3
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm