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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-56250
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 14
  • Number of elements: 3
  • Element list: ['Th', 'Al', 'C']
  • Chemical System: Al-C-Th
  • Density: 8.258538537261812
  • Atomic Density: 0.06283281099067105
  • Unit Cell Volume: 222.81352336884333
  • Molar Volume: 9.5843885782766
  • Full Formula: Th4 Al4 C6
  • Reduced Formula: Th2Al2C3
  • Formula Anonymous: A2B2C3
  • Spacegroup Number: 58
  • Spacegroup Symbol: Pnnm
  • Crystal System: orthorhombic
  • Pointgroup: mmm