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-86200
  • 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: 12
  • Number of elements: 2
  • Element list: ['Mg', 'H']
  • Chemical System: H-Mg
  • Density: 1.5705620166461787
  • Atomic Density: 0.1078020059339348
  • Unit Cell Volume: 111.31518283021617
  • Molar Volume: 5.5862974977391415
  • Full Formula: Mg4 H8
  • Reduced Formula: MgH2
  • Formula Anonymous: AB2
  • Spacegroup Number: 205
  • Spacegroup Symbol: Pa-3
  • Crystal System: cubic
  • Pointgroup: m-3