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: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-49626
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 22
  • Number of elements: 2
  • Element list: ['Mo', 'O']
  • Chemical System: Mo-O
  • Density: 4.910993325025965
  • Atomic Density: 0.07823706875901094
  • Unit Cell Volume: 281.1966290271599
  • Molar Volume: 7.6972985510866305
  • Full Formula: Mo6 O16
  • Reduced Formula: Mo3O8
  • Formula Anonymous: A3B8
  • Spacegroup Number: 186
  • Spacegroup Symbol: P6_3mc
  • Crystal System: hexagonal
  • Pointgroup: 6mm