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-18471
  • 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: ['Ti', 'I', 'N']
  • Chemical System: I-N-Ti
  • Density: 4.933775888341353
  • Atomic Density: 0.04721715369126653
  • Unit Cell Volume: 127.0724626738732
  • Molar Volume: 12.754137615698506
  • Full Formula: Ti2 I2 N2
  • Reduced Formula: TiIN
  • Formula Anonymous: ABC
  • Spacegroup Number: 59
  • Spacegroup Symbol: Pmmn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm