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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204322

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-1204322
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 4
  • Element list: ['Ni', 'P', 'H', 'O']
  • Chemical System: H-Ni-O-P
  • Density: 1.8887781391872527
  • Atomic Density: 0.11342903426914303
  • Unit Cell Volume: 493.7007562554388
  • Molar Volume: 5.309170441944112
  • Full Formula: Ni2 P2 H30 O22
  • Reduced Formula: NiPH15O11
  • Formula Anonymous: ABC11D15
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -314.82558011000003
  • Final energy per atom: -5.621885359107144
  • 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.