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-16233
  • 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: 3
  • Element list: ['Nb', 'As', 'C']
  • Chemical System: As-C-Nb
  • Density: 7.699986819477262
  • Atomic Density: 0.06800549127168265
  • Unit Cell Volume: 117.63755912062919
  • Molar Volume: 8.855374246090635
  • Full Formula: Nb4 As2 C2
  • Reduced Formula: Nb2AsC
  • Formula Anonymous: ABC2
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm