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-65593
  • 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: 4
  • Number of elements: 3
  • Element list: ['K', 'Ba', 'Se']
  • Chemical System: Ba-K-Se
  • Density: 2.4916780183209157
  • Atomic Density: 0.02038176083165501
  • Unit Cell Volume: 196.25389744479685
  • Molar Volume: 29.546714877779273
  • Full Formula: K2 Ba1 Se1
  • Reduced Formula: K2BaSe
  • Formula Anonymous: ABC2
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm