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  1. Third-Parties
  2. MatprojStructure
  3. mp-1024072

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-1024072
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 3
  • Element list: ['Na', 'Zn', 'S']
  • Chemical System: Na-S-Zn
  • Density: 3.27083863692744
  • Atomic Density: 0.047852380089103225
  • Unit Cell Volume: 752.3136766231152
  • Molar Volume: 12.584830156382003
  • Full Formula: Na8 Zn12 S16
  • Reduced Formula: Na2Zn3S4
  • Formula Anonymous: A2B3C4
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -129.76795006
  • Final energy per atom: -3.6046652794444447
  • 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.