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-50856
  • 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: ['Tm', 'Zr', 'O']
  • Chemical System: O-Tm-Zr
  • Density: 7.377451565493229
  • Atomic Density: 0.07728912304133481
  • Unit Cell Volume: 284.64548612143307
  • Molar Volume: 7.791705382372257
  • Full Formula: Tm4 Zr4 O14
  • Reduced Formula: Tm2Zr2O7
  • Formula Anonymous: A2B2C7
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m