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  1. Third-Parties
  2. MatprojStructure
  3. mp-16000

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-16000
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 78
  • Number of elements: 4
  • Element list: ['Cs', 'Ti', 'Ag', 'Se']
  • Chemical System: Ag-Cs-Se-Ti
  • Density: 4.3587064250401975
  • Atomic Density: 0.03207568232496455
  • Unit Cell Volume: 2431.7487375566284
  • Molar Volume: 18.774786141690146
  • Full Formula: Cs10 Ti12 Ag2 Se54
  • Reduced Formula: Cs5Ti6AgSe27
  • Formula Anonymous: AB5C6D27
  • Spacegroup Number: 159
  • Spacegroup Symbol: P31c
  • Crystal System: trigonal
  • Pointgroup: 31m

Thermodynamics:

  • Final energy: -389.55440406
  • Final energy per atom: -4.994287231538462
  • 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.