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  1. Third-Parties
  2. MatprojStructure
  3. mp-1194900

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-1194900
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 60
  • Number of elements: 4
  • Element list: ['K', 'Nb', 'Sn', 'As']
  • Chemical System: As-K-Nb-Sn
  • Density: 2.910315581320832
  • Atomic Density: 0.029242691771936263
  • Unit Cell Volume: 2051.7947002943492
  • Molar Volume: 20.593660826324307
  • Full Formula: K32 Nb4 Sn4 As20
  • Reduced Formula: K8NbSnAs5
  • Formula Anonymous: ABC5D8
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -214.12870191
  • Final energy per atom: -3.5688116985
  • 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.