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  1. Third-Parties
  2. MatprojStructure
  3. mp-560345

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-560345
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 4
  • Element list: ['Cs', 'Cu', 'Te', 'S']
  • Chemical System: Cs-Cu-S-Te
  • Density: 3.193913475519563
  • Atomic Density: 0.03065394297034842
  • Unit Cell Volume: 1826.8449202169143
  • Molar Volume: 19.645566528995044
  • Full Formula: Cs12 Cu4 Te4 S36
  • Reduced Formula: Cs3CuTeS9
  • Formula Anonymous: ABC3D9
  • Spacegroup Number: 64
  • Spacegroup Symbol: Cmce
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -235.13132383
  • Final energy per atom: -4.198773639821429
  • 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.