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  1. Third-Parties
  2. MatprojStructure
  3. mp-1225940

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-1225940
  • 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: 116
  • Number of elements: 3
  • Element list: ['K', 'Ga', 'As']
  • Chemical System: As-Ga-K
  • Density: 2.7147406310125035
  • Atomic Density: 0.029411470055174808
  • Unit Cell Volume: 3944.039511877114
  • Molar Volume: 20.475483709935926
  • Full Formula: K60 Ga18 As38
  • Reduced Formula: K30Ga9As19
  • Formula Anonymous: A9B19C30
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -353.81773106
  • Final energy per atom: -3.0501528539655176
  • 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.