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  1. Third-Parties
  2. MatprojStructure
  3. mp-29834

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-29834
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 3
  • Element list: ['Cs', 'Si', 'Se']
  • Chemical System: Cs-Se-Si
  • Density: 3.8667463295314146
  • Atomic Density: 0.02393643545815505
  • Unit Cell Volume: 3007.9666676296983
  • Molar Volume: 25.158887047019697
  • Full Formula: Cs32 Si8 Se32
  • Reduced Formula: Cs4SiSe4
  • Formula Anonymous: AB4C4
  • Spacegroup Number: 218
  • Spacegroup Symbol: P-43n
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -277.24344142
  • Final energy per atom: -3.850603353055556
  • 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.