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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-120485
  • 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: 16
  • Number of elements: 5
  • Element list: ['Ca', 'Mg', 'P', 'O', 'F']
  • Chemical System: Ca-F-Mg-O-P
  • Density: 3.2280007179645334
  • Atomic Density: 0.08719561900543539
  • Unit Cell Volume: 183.49545748396636
  • Molar Volume: 6.9064717111815055
  • Full Formula: Ca2 Mg2 P2 O8 F2
  • Reduced Formula: CaMgPO4F
  • Formula Anonymous: ABCDE4
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m