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-646424
  • Created at: Sept. 4, 2022, 3:16 p.m.
  • Last updated at: Sept. 4, 2022, 3:16 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 12
  • Number of elements: 2
  • Element list: ['H', 'O']
  • Chemical System: H-O
  • Density: 1.7845789721177467
  • Atomic Density: 0.17896450853625
  • Unit Cell Volume: 67.0524010495039
  • Molar Volume: 3.364991645134035
  • Full Formula: H8 O4
  • Reduced Formula: H2O
  • Formula Anonymous: AB2
  • Spacegroup Number: 141
  • Spacegroup Symbol: I4_1/amd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm