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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-100537
  • 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: ['Ti', 'H', 'C']
  • Chemical System: C-H-Ti
  • Density: 4.5129182281689575
  • Atomic Density: 0.0999605299431635
  • Unit Cell Volume: 40.01579425673671
  • Molar Volume: 6.024518640931702
  • Full Formula: Ti2 H1 C1
  • Reduced Formula: Ti2HC
  • Formula Anonymous: ABC2
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m