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  1. Third-Parties
  2. MatprojStructure
  3. mp-23660

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-23660
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 154
  • Number of elements: 6
  • Element list: ['K', 'Na', 'C', 'S', 'Cl', 'O']
  • Chemical System: C-Cl-K-Na-O-S
  • Density: 2.4785816060345964
  • Atomic Density: 0.07344397924363022
  • Unit Cell Volume: 2096.836276928124
  • Molar Volume: 8.199638448269807
  • Full Formula: K2 Na44 C4 S18 Cl2 O84
  • Reduced Formula: KNa22C2S9ClO42
  • Formula Anonymous: ABC2D9E22F42
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m

Thermodynamics:

  • Final energy: -929.50634448
  • Final energy per atom: -6.035755483636364
  • 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.