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-51475
  • 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: 3
  • Element list: ['Zr', 'Mo', 'O']
  • Chemical System: Mo-O-Zr
  • Density: 3.386303756741733
  • Atomic Density: 0.05456609420521644
  • Unit Cell Volume: 403.18077224403635
  • Molar Volume: 11.036415282632216
  • Full Formula: Zr2 Mo4 O16
  • Reduced Formula: Zr(MoO4)2
  • Formula Anonymous: AB2C8
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2