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  1. Third-Parties
  2. MatprojStructure
  3. mp-1194684

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-1194684
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 60
  • Number of elements: 5
  • Element list: ['K', 'Cu', 'Te', 'S', 'O']
  • Chemical System: Cu-K-O-S-Te
  • Density: 3.7258707717933395
  • Atomic Density: 0.07287259006903893
  • Unit Cell Volume: 823.3548436134419
  • Molar Volume: 8.263931272779889
  • Full Formula: K4 Cu10 Te2 S6 O38
  • Reduced Formula: K2Cu5TeS3O19
  • Formula Anonymous: AB2C3D5E19
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -352.41036381
  • Final energy per atom: -5.8735060635
  • 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.