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-98144
  • 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: 18
  • Number of elements: 4
  • Element list: ['Ba', 'La', 'Mn', 'S']
  • Chemical System: Ba-La-Mn-S
  • Density: 4.959633907712883
  • Atomic Density: 0.04264087907250605
  • Unit Cell Volume: 422.130134076106
  • Molar Volume: 14.122928258022128
  • Full Formula: Ba2 La4 Mn2 S10
  • Reduced Formula: BaLa2MnS5
  • Formula Anonymous: ABC2D5
  • Spacegroup Number: 140
  • Spacegroup Symbol: I4/mcm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm