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-97440
  • 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: 44
  • Number of elements: 3
  • Element list: ['Nd', 'S', 'Cl']
  • Chemical System: Cl-Nd-S
  • Density: 4.468837864478088
  • Atomic Density: 0.038921807394596046
  • Unit Cell Volume: 1130.4716544614785
  • Molar Volume: 15.472407791720693
  • Full Formula: Nd14 S12 Cl18
  • Reduced Formula: Nd7(S2Cl3)3
  • Formula Anonymous: A6B7C9
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m