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  1. Third-Parties
  2. MatprojStructure
  3. mp-17625

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-17625
  • 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: 18
  • Number of elements: 3
  • Element list: ['Na', 'Cu', 'S']
  • Chemical System: Cu-Na-S
  • Density: 4.394505030066287
  • Atomic Density: 0.060091792572935676
  • Unit Cell Volume: 299.5417382191207
  • Molar Volume: 10.02156950583676
  • Full Formula: Na4 Cu8 S6
  • Reduced Formula: Na2Cu4S3
  • Formula Anonymous: A2B3C4
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -74.90121047
  • Final energy per atom: -4.1611783594444445
  • 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.