Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-24488

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-24488
  • 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: 32
  • Number of elements: 5
  • Element list: ['Na', 'Zn', 'H', 'S', 'O']
  • Chemical System: H-Na-O-S-Zn
  • Density: 3.102969944280207
  • Atomic Density: 0.08567947601085253
  • Unit Cell Volume: 373.48501052862116
  • Molar Volume: 7.028685328604495
  • Full Formula: Na2 Zn4 H6 S4 O16
  • Reduced Formula: NaZn2H3(SO4)2
  • Formula Anonymous: AB2C2D3E8
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -176.61399520999998
  • Final energy per atom: -5.5191873503124995
  • 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.