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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223803

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-1223803
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 4
  • Element list: ['K', 'Zn', 'Sn', 'S']
  • Chemical System: K-S-Sn-Zn
  • Density: 2.8040980228766172
  • Atomic Density: 0.03305277890241072
  • Unit Cell Volume: 968.1485509730035
  • Molar Volume: 18.21977140796707
  • Full Formula: K6 Zn4 Sn5 S17
  • Reduced Formula: K6Zn4Sn5S17
  • Formula Anonymous: A4B5C6D17
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -136.42912314
  • Final energy per atom: -4.263410098125
  • 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.