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  1. Third-Parties
  2. MatprojStructure
  3. mp-560348

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-560348
  • 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: 140
  • Number of elements: 3
  • Element list: ['K', 'Nb', 'S']
  • Chemical System: K-Nb-S
  • Density: 2.3989455604514864
  • Atomic Density: 0.035915832741336425
  • Unit Cell Volume: 3898.002338085023
  • Molar Volume: 16.767370544826512
  • Full Formula: K24 Nb16 S100
  • Reduced Formula: K6Nb4S25
  • Formula Anonymous: A4B6C25
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -757.29060281
  • Final energy per atom: -5.4092185915
  • 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.