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-34888
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Zr', 'Ge', 'O']
  • Chemical System: Ge-O-Zr
  • Density: 5.857073874222933
  • Atomic Density: 0.08923867904466555
  • Unit Cell Volume: 134.47083852500535
  • Molar Volume: 6.748352647606775
  • Full Formula: Zr3 Ge1 O8
  • Reduced Formula: Zr3GeO8
  • Formula Anonymous: AB3C8
  • Spacegroup Number: 121
  • Spacegroup Symbol: I-42m
  • Crystal System: tetragonal
  • Pointgroup: -42m