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  1. Third-Parties
  2. MatprojStructure
  3. mp-554754

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-554754
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 104
  • Number of elements: 4
  • Element list: ['Na', 'Zn', 'S', 'O']
  • Chemical System: Na-O-S-Zn
  • Density: 2.839450719300191
  • Atomic Density: 0.07324032051949209
  • Unit Cell Volume: 1419.9828627500556
  • Molar Volume: 8.222439111796726
  • Full Formula: Na16 Zn8 S16 O64
  • Reduced Formula: Na2Zn(SO4)2
  • Formula Anonymous: AB2C2D8
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -629.64275401
  • Final energy per atom: -6.054257250096153
  • 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.