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  1. Third-Parties
  2. MatprojStructure
  3. mp-630391

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-630391
  • 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: 60
  • Number of elements: 6
  • Element list: ['Cs', 'Zn', 'Ag', 'C', 'S', 'N']
  • Chemical System: Ag-C-Cs-N-S-Zn
  • Density: 2.5403256345146312
  • Atomic Density: 0.04261239692855952
  • Unit Cell Volume: 1408.040953448151
  • Molar Volume: 14.132368029182286
  • Full Formula: Cs4 Zn4 Ag4 C16 S16 N16
  • Reduced Formula: CsZnAgC4(SN)4
  • Formula Anonymous: ABCD4E4F4
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -385.45025009
  • Final energy per atom: -6.424170834833333
  • 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.