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-39020
  • 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: 20
  • Number of elements: 3
  • Element list: ['Sm', 'B', 'S']
  • Chemical System: B-S-Sm
  • Density: 4.333957237836238
  • Atomic Density: 0.05070541668885967
  • Unit Cell Volume: 394.4351768712343
  • Molar Volume: 11.876720779070348
  • Full Formula: Sm4 B4 S12
  • Reduced Formula: SmBS3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2