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-1104023
  • Created at: Sept. 4, 2022, 3:35 p.m.
  • Last updated at: Sept. 4, 2022, 3:35 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 2
  • Number of elements: 2
  • Element list: ['H', 'Tc']
  • Chemical System: H-Tc
  • Density: 10.083310171515283
  • Atomic Density: 0.12266311813090826
  • Unit Cell Volume: 16.304819496481123
  • Molar Volume: 4.9094959037100825
  • Full Formula: Tc1 H1
  • Reduced Formula: TcH
  • Formula Anonymous: AB
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m