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  1. Third-Parties
  2. MatprojStructure
  3. mp-1120799

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-1120799
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 3
  • Element list: ['Ga', 'Fe', 'As']
  • Chemical System: As-Fe-Ga
  • Density: 5.377847439212258
  • Atomic Density: 0.04703680064708148
  • Unit Cell Volume: 340.1591898234847
  • Molar Volume: 12.803040762028653
  • Full Formula: Ga4 Fe4 As8
  • Reduced Formula: GaFeAs2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -81.93377809
  • Final energy per atom: -5.120861130625
  • 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.