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-111021
  • 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: 10
  • Number of elements: 3
  • Element list: ['Nd', 'Ga', 'Au']
  • Chemical System: Au-Ga-Nd
  • Density: 9.756031583118775
  • Atomic Density: 0.04784385776462418
  • Unit Cell Volume: 209.01324573776353
  • Molar Volume: 12.58707186537282
  • Full Formula: Nd2 Ga5 Au3
  • Reduced Formula: Nd2Ga5Au3
  • Formula Anonymous: A2B3C5
  • Spacegroup Number: 115
  • Spacegroup Symbol: P-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2