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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-20831
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Th', 'B', 'C']
  • Chemical System: B-C-Th
  • Density: 8.849194575476558
  • Atomic Density: 0.08023629753543751
  • Unit Cell Volume: 149.55824693555965
  • Molar Volume: 7.505506790539824
  • Full Formula: Th3 B6 C3
  • Reduced Formula: ThB2C
  • Formula Anonymous: ABC2
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m