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  1. Third-Parties
  2. MatprojStructure
  3. mp-775466

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-775466
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 76
  • Number of elements: 5
  • Element list: ['K', 'In', 'Si', 'H', 'O']
  • Chemical System: H-In-K-O-Si
  • Density: 2.9658333527159573
  • Atomic Density: 0.07035286961621887
  • Unit Cell Volume: 1080.268657335326
  • Molar Volume: 8.559907780380973
  • Full Formula: K8 In4 Si16 H4 O44
  • Reduced Formula: K2InSi4HO11
  • Formula Anonymous: ABC2D4E11
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -551.74840794
  • Final energy per atom: -7.259847472894736
  • 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.