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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224813

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-1224813
  • 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: 5
  • Number of elements: 3
  • Element list: ['Ga', 'Ni', 'As']
  • Chemical System: As-Ga-Ni
  • Density: 8.056779893859005
  • Atomic Density: 0.07563971138172655
  • Unit Cell Volume: 66.10284344908179
  • Molar Volume: 7.961612557732288
  • Full Formula: Ga1 Ni3 As1
  • Reduced Formula: GaNi3As
  • Formula Anonymous: ABC3
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2

Thermodynamics:

  • Final energy: -26.41050509
  • Final energy per atom: -5.2821010180000005
  • 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.