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  1. Third-Parties
  2. MatprojStructure
  3. mp-505561

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-505561
  • 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: 86
  • Number of elements: 5
  • Element list: ['Na', 'Zn', 'P', 'H', 'O']
  • Chemical System: H-Na-O-P-Zn
  • Density: 2.1744537259752557
  • Atomic Density: 0.098544033853121
  • Unit Cell Volume: 872.7063084121585
  • Molar Volume: 6.1111165481372
  • Full Formula: Na4 Zn2 P8 H32 O40
  • Reduced Formula: Na2ZnP4(H4O5)4
  • Formula Anonymous: AB2C4D16E20
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -517.67137842
  • Final energy per atom: -6.019434632790698
  • 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.