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: ['formation_energy']

Base Information:

  • Database Entry ID: oqmd-1713449
  • Created at: Sept. 4, 2022, 4 p.m.
  • Last updated at: Sept. 4, 2022, 4 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['H', 'Mn', 'Ni']
  • Chemical System: H-Mn-Ni
  • Density: 6.382677346452715
  • Atomic Density: 0.1647477352148858
  • Unit Cell Volume: 30.349430864578128
  • Molar Volume: 3.65537089304756
  • Full Formula: Mn1 Ni1 H3
  • Reduced Formula: MnNiH3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m