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-101732
  • 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: 6
  • Number of elements: 3
  • Element list: ['Cr', 'B', 'Mo']
  • Chemical System: B-Cr-Mo
  • Density: 6.377927046308864
  • Atomic Density: 0.12054217288250066
  • Unit Cell Volume: 49.7751107062633
  • Molar Volume: 4.995878716961676
  • Full Formula: Cr1 B4 Mo1
  • Reduced Formula: CrB4Mo
  • Formula Anonymous: ABC4
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm