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  1. Third-Parties
  2. MatprojStructure
  3. mp-677520

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-677520
  • 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: 78
  • Number of elements: 5
  • Element list: ['K', 'Ba', 'Zn', 'Ga', 'O']
  • Chemical System: Ba-Ga-K-O-Zn
  • Density: 5.180725663052623
  • Atomic Density: 0.06243831264877997
  • Unit Cell Volume: 1249.232989987344
  • Molar Volume: 9.644944753512123
  • Full Formula: K2 Ba12 Zn8 Ga14 O42
  • Reduced Formula: KBa6Zn4(GaO3)7
  • Formula Anonymous: AB4C6D7E21
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -478.3857856400001
  • Final energy per atom: -6.133151097948719
  • 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.