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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-707459
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 108
  • Number of elements: 5
  • Element list: ['Na', 'Zn', 'P', 'H', 'O']
  • Chemical System: H-Na-O-P-Zn
  • Density: 2.2413202011714795
  • Atomic Density: 0.0970766420036429
  • Unit Cell Volume: 1112.5230309876931
  • Molar Volume: 6.203491010509009
  • Full Formula: Na8 Zn4 P8 H40 O48
  • Reduced Formula: Na2ZnP2(H5O6)2
  • Formula Anonymous: AB2C2D10E12
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -630.45361353
  • Final energy per atom: -5.837533458611111
  • 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.