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-100275
  • 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: 10
  • Number of elements: 3
  • Element list: ['Nd', 'Lu', 'S']
  • Chemical System: Lu-Nd-S
  • Density: 5.819555188838265
  • Atomic Density: 0.04218324874084461
  • Unit Cell Volume: 237.060925805777
  • Molar Volume: 14.276142638983055
  • Full Formula: Nd2 Lu2 S6
  • Reduced Formula: NdLuS3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm