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-1243328
  • Created at: Sept. 4, 2022, 3:47 p.m.
  • Last updated at: Sept. 4, 2022, 3:47 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 4
  • Number of elements: 2
  • Element list: ['C', 'H']
  • Chemical System: C-H
  • Density: 2.3253040060028516
  • Atomic Density: 0.21512704919684855
  • Unit Cell Volume: 18.593663674249836
  • Molar Volume: 2.799341497260783
  • Full Formula: H2 C2
  • Reduced Formula: HC
  • Formula Anonymous: AB
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm