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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204149

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-1204149
  • 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: 60
  • Number of elements: 4
  • Element list: ['K', 'Ge', 'Se', 'O']
  • Chemical System: Ge-K-O-Se
  • Density: 2.9723363118693253
  • Atomic Density: 0.03260713824306822
  • Unit Cell Volume: 1840.0878836018394
  • Molar Volume: 18.46878040970129
  • Full Formula: K16 Ge8 Se24 O12
  • Reduced Formula: K4Ge2(Se2O)3
  • Formula Anonymous: A2B3C4D6
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -270.18398972
  • Final energy per atom: -4.503066495333333
  • 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.