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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-112313
  • 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: 18
  • Number of elements: 3
  • Element list: ['Ca', 'Al', 'P']
  • Chemical System: Al-Ca-P
  • Density: 2.4782351273982077
  • Atomic Density: 0.04505940132380741
  • Unit Cell Volume: 399.4726843050529
  • Molar Volume: 13.364892970333731
  • Full Formula: Ca6 Al4 P8
  • Reduced Formula: Ca3(AlP2)2
  • Formula Anonymous: A2B3C4
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m