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-117807
  • 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: ['In', 'Br', 'O']
  • Chemical System: Br-In-O
  • Density: 5.141926970328211
  • Atomic Density: 0.04124748476066538
  • Unit Cell Volume: 145.46341515887408
  • Molar Volume: 14.600019358617626
  • Full Formula: In1 Br4 O1
  • Reduced Formula: InBr4O
  • Formula Anonymous: ABC4
  • Spacegroup Number: 87
  • Spacegroup Symbol: I4/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m