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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-79259
  • 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: 4
  • Number of elements: 4
  • Element list: ['Ca', 'Al', 'Si', 'H']
  • Chemical System: Al-Ca-H-Si
  • Density: 2.2734496164047564
  • Atomic Density: 0.056955213680666056
  • Unit Cell Volume: 70.23062054383679
  • Molar Volume: 10.573467064428323
  • Full Formula: Ca1 Al1 Si1 H1
  • Reduced Formula: CaAlSiH
  • Formula Anonymous: ABCD
  • Spacegroup Number: 156
  • Spacegroup Symbol: P3m1
  • Crystal System: trigonal
  • Pointgroup: 3m1