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  1. Third-Parties
  2. MatprojStructure
  3. mp-653840

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-653840
  • 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: 156
  • Number of elements: 6
  • Element list: ['K', 'Cu', 'Te', 'S', 'Cl', 'O']
  • Chemical System: Cl-Cu-K-O-S-Te
  • Density: 3.844955591225368
  • Atomic Density: 0.07580390266149743
  • Unit Cell Volume: 2057.9415376094616
  • Molar Volume: 7.944367702137828
  • Full Formula: K4 Cu28 Te4 S20 Cl4 O96
  • Reduced Formula: KCu7TeS5ClO24
  • Formula Anonymous: ABCD5E7F24
  • Spacegroup Number: 130
  • Spacegroup Symbol: P4/ncc1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -933.64331503
  • Final energy per atom: -5.984893045064103
  • 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.