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  1. Third-Parties
  2. MatprojStructure
  3. mp-568847

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-568847
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 3
  • Element list: ['K', 'Ge', 'Se']
  • Chemical System: Ge-K-Se
  • Density: 2.957080590723257
  • Atomic Density: 0.029414476626741983
  • Unit Cell Volume: 2447.7743022135455
  • Molar Volume: 20.473390828667707
  • Full Formula: K32 Ge8 Se32
  • Reduced Formula: K4GeSe4
  • Formula Anonymous: AB4C4
  • Spacegroup Number: 218
  • Spacegroup Symbol: P-43n
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -271.60873274
  • Final energy per atom: -3.7723435102777776
  • 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.