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-112359
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['La', 'Ni', 'H']
  • Chemical System: H-La-Ni
  • Density: 7.013036396946084
  • Atomic Density: 0.11559732244583636
  • Unit Cell Volume: 103.80863281346896
  • Molar Volume: 5.209584990882209
  • Full Formula: La1 Ni5 H6
  • Reduced Formula: LaNi5H6
  • Formula Anonymous: AB5C6
  • Spacegroup Number: 183
  • Spacegroup Symbol: P6mm
  • Crystal System: hexagonal
  • Pointgroup: 6mm