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  1. Third-Parties
  2. MatprojStructure
  3. mp-1094106

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-1094106
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 3
  • Element list: ['Na', 'Zn', 'S']
  • Chemical System: Na-S-Zn
  • Density: 2.892264639823747
  • Atomic Density: 0.0446617970288086
  • Unit Cell Volume: 626.9340210815725
  • Molar Volume: 13.48387472209299
  • Full Formula: Na8 Zn8 S12
  • Reduced Formula: Na2Zn2S3
  • Formula Anonymous: A2B2C3
  • Spacegroup Number: 96
  • Spacegroup Symbol: P4_32_12
  • Crystal System: tetragonal
  • Pointgroup: 422

Thermodynamics:

  • Final energy: -101.43482642
  • Final energy per atom: -3.622672372142857
  • 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.