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-14922
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 6
  • Number of elements: 2
  • Element list: ['Ti', 'N']
  • Chemical System: N-Ti
  • Density: 4.776648769788689
  • Atomic Density: 0.07863714536909946
  • Unit Cell Volume: 76.29981952978808
  • Molar Volume: 7.658137552849682
  • Full Formula: Ti4 N2
  • Reduced Formula: Ti2N
  • Formula Anonymous: AB2
  • Spacegroup Number: 141
  • Spacegroup Symbol: I4_1/amd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm