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  1. Third-Parties
  2. MatprojStructure
  3. mp-568135

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-568135
  • 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: 48
  • Number of elements: 4
  • Element list: ['Cs', 'Sc', 'C', 'Cl']
  • Chemical System: C-Cl-Cs-Sc
  • Density: 3.334056198146417
  • Atomic Density: 0.03781621331715264
  • Unit Cell Volume: 1269.2968383015814
  • Molar Volume: 15.924758805156422
  • Full Formula: Cs8 Sc12 C2 Cl26
  • Reduced Formula: Cs4Sc6CCl13
  • Formula Anonymous: AB4C6D13
  • Spacegroup Number: 141
  • Spacegroup Symbol: I4_1/amd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -254.90778278
  • Final energy per atom: -5.3105788079166665
  • 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.