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  1. Third-Parties
  2. MatprojStructure
  3. mp-1212580

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-1212580
  • 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: 24
  • Number of elements: 4
  • Element list: ['K', 'Nb', 'Cu', 'S']
  • Chemical System: Cu-K-Nb-S
  • Density: 3.2598338702460112
  • Atomic Density: 0.039422810321437955
  • Unit Cell Volume: 608.7846047583498
  • Molar Volume: 15.275777426565618
  • Full Formula: K8 Nb4 Cu4 S8
  • Reduced Formula: K2NbCuS2
  • Formula Anonymous: ABC2D2
  • Spacegroup Number: 70
  • Spacegroup Symbol: Fddd1
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -108.23479866
  • Final energy per atom: -4.5097832774999995
  • 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.