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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-36491
  • 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: 5
  • Number of elements: 3
  • Element list: ['Ca', 'As', 'P']
  • Chemical System: As-Ca-P
  • Density: 2.511137565478048
  • Atomic Density: 0.033437550432434585
  • Unit Cell Volume: 149.5324847465494
  • Molar Volume: 18.010113426725464
  • Full Formula: Ca3 As1 P1
  • Reduced Formula: Ca3AsP
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m