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-114007
  • 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: 6
  • Number of elements: 3
  • Element list: ['Zr', 'B', 'O']
  • Chemical System: B-O-Zr
  • Density: 2.6031174397060806
  • Atomic Density: 0.0566503432776632
  • Unit Cell Volume: 105.91286217970288
  • Molar Volume: 10.63036940567752
  • Full Formula: Zr1 B1 O4
  • Reduced Formula: ZrBO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 82
  • Spacegroup Symbol: I-4
  • Crystal System: tetragonal
  • Pointgroup: -4