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  1. Third-Parties
  2. MatprojStructure
  3. mp-585202

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-585202
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 92
  • Number of elements: 3
  • Element list: ['Ni', 'P', 'O']
  • Chemical System: Ni-O-P
  • Density: 3.1462554735181936
  • Atomic Density: 0.07279352269035502
  • Unit Cell Volume: 1263.8487134541408
  • Molar Volume: 8.272907447571459
  • Full Formula: Ni16 P16 O60
  • Reduced Formula: Ni4P4O15
  • Formula Anonymous: A4B4C15
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -666.41481374
  • Final energy per atom: -7.243639279782609
  • 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.