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  1. Third-Parties
  2. MatprojStructure
  3. mp-641018

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-641018
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 5
  • Element list: ['Cs', 'K', 'Zn', 'Sn', 'S']
  • Chemical System: Cs-K-S-Sn-Zn
  • Density: 3.022004642989998
  • Atomic Density: 0.03368832381575133
  • Unit Cell Volume: 949.8840065482293
  • Molar Volume: 17.876047478456872
  • Full Formula: Cs1 K5 Zn4 Sn5 S17
  • Reduced Formula: CsK5Zn4Sn5S17
  • Formula Anonymous: AB4C5D5E17
  • Spacegroup Number: 119
  • Spacegroup Symbol: I-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -136.69366746
  • Final energy per atom: -4.271677108125
  • 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.