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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196254

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-1196254
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 60
  • Number of elements: 5
  • Element list: ['K', 'Ga', 'B', 'H', 'O']
  • Chemical System: B-Ga-H-K-O
  • Density: 2.069810058834533
  • Atomic Density: 0.08615553463762553
  • Unit Cell Volume: 696.4149227599015
  • Molar Volume: 6.989847820374425
  • Full Formula: K4 Ga2 B10 H16 O28
  • Reduced Formula: K2GaB5(H4O7)2
  • Formula Anonymous: AB2C5D8E14
  • Spacegroup Number: 20
  • Spacegroup Symbol: C222_1
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -398.34768323
  • Final energy per atom: -6.639128053833333
  • 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.