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-103696
  • 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: 4
  • Number of elements: 3
  • Element list: ['Mo', 'C', 'N']
  • Chemical System: C-Mo-N
  • Density: 8.777107775498868
  • Atomic Density: 0.09703094852533516
  • Unit Cell Volume: 41.2239606104189
  • Molar Volume: 6.206412337015953
  • Full Formula: Mo2 C1 N1
  • Reduced Formula: Mo2CN
  • Formula Anonymous: ABC2
  • Spacegroup Number: 25
  • Spacegroup Symbol: Pmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2