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  1. Third-Parties
  2. MatprojStructure
  3. mp-1229196

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-1229196
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 116
  • Number of elements: 5
  • Element list: ['Co', 'Ni', 'P', 'H', 'O']
  • Chemical System: Co-H-Ni-O-P
  • Density: 1.7521081121909547
  • Atomic Density: 0.10306854289848437
  • Unit Cell Volume: 1125.4646348716917
  • Molar Volume: 5.84285038930977
  • Full Formula: Co2 Ni2 P8 H64 O40
  • Reduced Formula: CoNiP4(H8O5)4
  • Formula Anonymous: ABC4D20E32
  • Spacegroup Number: 120
  • Spacegroup Symbol: I-4c2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -630.9143577
  • Final energy per atom: -5.438916876724138
  • 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.