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  1. Third-Parties
  2. MatprojStructure
  3. mp-1211997

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-1211997
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 4
  • Element list: ['K', 'Ga', 'O', 'F']
  • Chemical System: F-Ga-K-O
  • Density: 2.7844204393421452
  • Atomic Density: 0.058287804346960445
  • Unit Cell Volume: 308.81245573867034
  • Molar Volume: 10.331733760553016
  • Full Formula: K4 Ga2 O2 F10
  • Reduced Formula: K2GaOF5
  • Formula Anonymous: ABC2D5
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -84.01290443
  • Final energy per atom: -4.6673835794444445
  • 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.