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  1. Third-Parties
  2. MatprojStructure
  3. mp-680437

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-680437
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 78
  • Number of elements: 4
  • Element list: ['K', 'Gd', 'Si', 'O']
  • Chemical System: Gd-K-O-Si
  • Density: 3.4740695059515607
  • Atomic Density: 0.06143441941272865
  • Unit Cell Volume: 1269.6465718342756
  • Molar Volume: 9.802551757740332
  • Full Formula: K18 Gd6 Si12 O42
  • Reduced Formula: K3GdSi2O7
  • Formula Anonymous: AB2C3D7
  • Spacegroup Number: 193
  • Spacegroup Symbol: P6_3/mcm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm

Thermodynamics:

  • Final energy: -583.1472773500001
  • Final energy per atom: -7.476247145512821
  • 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.