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  1. Third-Parties
  2. MatprojStructure
  3. mp-746672

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-746672
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 96
  • Number of elements: 4
  • Element list: ['Ni', 'P', 'H', 'O']
  • Chemical System: H-Ni-O-P
  • Density: 2.8997634548399085
  • Atomic Density: 0.08930367737211012
  • Unit Cell Volume: 1074.9837277135596
  • Molar Volume: 6.7434409614589255
  • Full Formula: Ni8 P16 H16 O56
  • Reduced Formula: NiP2H2O7
  • Formula Anonymous: AB2C2D7
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -667.71177799
  • Final energy per atom: -6.955331020729166
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.