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-91332
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 36
  • Number of elements: 4
  • Element list: ['Fe', 'Ni', 'B', 'O']
  • Chemical System: B-Fe-Ni-O
  • Density: 5.153155667654136
  • Atomic Density: 0.10577846945640924
  • Unit Cell Volume: 340.33390901761356
  • Molar Volume: 5.693163070847506
  • Full Formula: Fe4 Ni8 B4 O20
  • Reduced Formula: FeNi2BO5
  • Formula Anonymous: ABC2D5
  • Spacegroup Number: 55
  • Spacegroup Symbol: Pbam
  • Crystal System: orthorhombic
  • Pointgroup: mmm