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  1. Third-Parties
  2. MatprojStructure
  3. mp-555092

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-555092
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 5
  • Element list: ['K', 'W', 'S', 'Cl', 'O']
  • Chemical System: Cl-K-O-S-W
  • Density: 2.8905956733659157
  • Atomic Density: 0.03490961347661214
  • Unit Cell Volume: 1031.2345630557718
  • Molar Volume: 17.25066582027487
  • Full Formula: K12 W4 S12 Cl4 O4
  • Reduced Formula: K3WS3ClO
  • Formula Anonymous: ABCD3E3
  • Spacegroup Number: 29
  • Spacegroup Symbol: Pca2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -196.30957208
  • Final energy per atom: -5.453043668888889
  • 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.