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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-87239
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 72
  • Number of elements: 5
  • Element list: ['Na', 'Ca', 'P', 'O', 'F']
  • Chemical System: Ca-F-Na-O-P
  • Density: 2.863510268422096
  • Atomic Density: 0.07758948617191673
  • Unit Cell Volume: 927.9607786094629
  • Molar Volume: 7.761542261868588
  • Full Formula: Na16 Ca8 P8 O32 F8
  • Reduced Formula: Na2CaPO4F
  • Formula Anonymous: ABCD2E4
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m