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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223591

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-1223591
  • 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: 50
  • Number of elements: 5
  • Element list: ['K', 'Ga', 'As', 'H', 'O']
  • Chemical System: As-Ga-H-K-O
  • Density: 3.1258034481518733
  • Atomic Density: 0.08577682242012254
  • Unit Cell Volume: 582.9080465945357
  • Molar Volume: 7.020708613457865
  • Full Formula: K2 Ga2 As6 H14 O26
  • Reduced Formula: KGaAs3H7O13
  • Formula Anonymous: ABC3D7E13
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -293.80818405
  • Final energy per atom: -5.876163681
  • 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.