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  1. Third-Parties
  2. MatprojStructure
  3. mp-567524

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-567524
  • 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: 40
  • Number of elements: 3
  • Element list: ['K', 'Ga', 'As']
  • Chemical System: As-Ga-K
  • Density: 3.756479444728573
  • Atomic Density: 0.03612878247606015
  • Unit Cell Volume: 1107.150511548653
  • Molar Volume: 16.66854055762998
  • Full Formula: K12 Ga12 As16
  • Reduced Formula: K3Ga3As4
  • Formula Anonymous: A3B3C4
  • Spacegroup Number: 52
  • Spacegroup Symbol: Pnna
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -142.76130815
  • Final energy per atom: -3.5690327037499996
  • 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.