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  1. Third-Parties
  2. MatprojStructure
  3. mp-28317

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-28317
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 3
  • Element list: ['Na', 'Cu', 'S']
  • Chemical System: Cu-Na-S
  • Density: 4.697719479590208
  • Atomic Density: 0.05827519910149657
  • Unit Cell Volume: 308.87925356805414
  • Molar Volume: 10.333968571280858
  • Full Formula: Na2 Cu10 S6
  • Reduced Formula: NaCu5S3
  • Formula Anonymous: AB3C5
  • Spacegroup Number: 182
  • Spacegroup Symbol: P6_322
  • Crystal System: hexagonal
  • Pointgroup: 622

Thermodynamics:

  • Final energy: -74.34618338000001
  • Final energy per atom: -4.1303435211111115
  • 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.