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  1. Third-Parties
  2. MatprojStructure
  3. mp-1225838

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-1225838
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 58
  • Number of elements: 5
  • Element list: ['K', 'Gd', 'Si', 'Cl', 'O']
  • Chemical System: Cl-Gd-K-O-Si
  • Density: 3.036824779216227
  • Atomic Density: 0.062358490461907924
  • Unit Cell Volume: 930.1059017044305
  • Molar Volume: 9.65729079615656
  • Full Formula: K8 Gd3 Si12 Cl1 O34
  • Reduced Formula: K8Gd3Si12ClO34
  • Formula Anonymous: AB3C8D12E34
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -461.43095607
  • Final energy per atom: -7.955706139137931
  • 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.