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-85665
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 9
  • Number of elements: 3
  • Element list: ['Ba', 'Mg', 'H']
  • Chemical System: Ba-H-Mg
  • Density: 3.9491211225874094
  • Atomic Density: 0.0701753475204877
  • Unit Cell Volume: 128.25016644730474
  • Molar Volume: 8.581561720434426
  • Full Formula: Ba2 Mg1 H6
  • Reduced Formula: Ba2MgH6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1