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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-119617
  • 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: 22
  • Number of elements: 4
  • Element list: ['Nd', 'P', 'H', 'O']
  • Chemical System: H-Nd-O-P
  • Density: 3.1289172579713878
  • Atomic Density: 0.09525220919845456
  • Unit Cell Volume: 230.96577166167125
  • Molar Volume: 6.3223108531300145
  • Full Formula: Nd1 P3 H6 O12
  • Reduced Formula: NdP3(HO2)6
  • Formula Anonymous: AB3C6D12
  • Spacegroup Number: 174
  • Spacegroup Symbol: P-6
  • Crystal System: hexagonal
  • Pointgroup: -6