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-10686
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 16
  • Number of elements: 3
  • Element list: ['Nd', 'Cu', 'S']
  • Chemical System: Cu-Nd-S
  • Density: 5.630945226855266
  • Atomic Density: 0.04988319240313805
  • Unit Cell Volume: 320.74931914328465
  • Molar Volume: 12.072484678468891
  • Full Formula: Nd4 Cu4 S8
  • Reduced Formula: NdCuS2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m