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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-21468
  • 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: 26
  • Number of elements: 3
  • Element list: ['Nd', 'P', 'O']
  • Chemical System: Nd-O-P
  • Density: 3.5798495260693945
  • Atomic Density: 0.0735282309729703
  • Unit Cell Volume: 353.605678471414
  • Molar Volume: 8.190242958808295
  • Full Formula: Nd2 P6 O18
  • Reduced Formula: Nd(PO3)3
  • Formula Anonymous: AB3C9
  • Spacegroup Number: 20
  • Spacegroup Symbol: C222_1
  • Crystal System: orthorhombic
  • Pointgroup: 222