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  1. Third-Parties
  2. MatprojStructure
  3. mp-1205204

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-1205204
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 100
  • Number of elements: 5
  • Element list: ['Zn', 'Ni', 'P', 'H', 'O']
  • Chemical System: H-Ni-O-P-Zn
  • Density: 2.950352660100542
  • Atomic Density: 0.09837673950663971
  • Unit Cell Volume: 1016.5004502233044
  • Molar Volume: 6.121508793848114
  • Full Formula: Zn8 Ni4 P8 H32 O48
  • Reduced Formula: Zn2NiP2(H2O3)4
  • Formula Anonymous: AB2C2D8E12
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -600.45399916
  • Final energy per atom: -6.0045399916
  • 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.