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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223536

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-1223536
  • 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: 21
  • Number of elements: 5
  • Element list: ['K', 'Ba', 'Ga', 'Se', 'Cl']
  • Chemical System: Ba-Cl-Ga-K-Se
  • Density: 4.503563438076516
  • Atomic Density: 0.034305676975015284
  • Unit Cell Volume: 612.1435823958301
  • Molar Volume: 17.554356278658794
  • Full Formula: K1 Ba3 Ga5 Se10 Cl2
  • Reduced Formula: KBa3Ga5(Se5Cl)2
  • Formula Anonymous: AB2C3D5E10
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -93.11706431
  • Final energy per atom: -4.43414591952381
  • 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.