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-680588
  • 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: 5
  • Number of elements: 3
  • Element list: ['Cu', 'Mo', 'O']
  • Chemical System: Cu-Mo-O
  • Density: 11.514875796748196
  • Atomic Density: 0.16710718913994094
  • Unit Cell Volume: 29.920914987163354
  • Molar Volume: 3.603759234413826
  • Full Formula: Cu1 Mo1 O3
  • Reduced Formula: CuMoO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm