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  1. Third-Parties
  2. MatprojStructure
  3. mp-740740

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-740740
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 124
  • Number of elements: 5
  • Element list: ['Na', 'Zn', 'P', 'H', 'O']
  • Chemical System: H-Na-O-P-Zn
  • Density: 2.0348074453706877
  • Atomic Density: 0.10869781003680232
  • Unit Cell Volume: 1140.7773529017443
  • Molar Volume: 5.540259512092337
  • Full Formula: Na8 Zn4 P4 H60 O48
  • Reduced Formula: Na2ZnP(H5O4)3
  • Formula Anonymous: ABC2D12E15
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -674.1577069
  • Final energy per atom: -5.436755700806452
  • 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.