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-107014
  • 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: 8
  • Number of elements: 4
  • Element list: ['Zr', 'Nb', 'V', 'C']
  • Chemical System: C-Nb-V-Zr
  • Density: 6.938104775939192
  • Atomic Density: 0.08889341162491936
  • Unit Cell Volume: 89.99542096275414
  • Molar Volume: 6.774563659914502
  • Full Formula: Zr1 Nb2 V1 C4
  • Reduced Formula: ZrNb2VC4
  • Formula Anonymous: ABC2D4
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m