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  1. Third-Parties
  2. MatprojStructure
  3. mp-1018076

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-1018076
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Ga', 'Bi', 'As']
  • Chemical System: As-Bi-Ga
  • Density: 6.185837170061607
  • Atomic Density: 0.03519750386861357
  • Unit Cell Volume: 113.64442248323446
  • Molar Volume: 17.10956771957367
  • Full Formula: Ga2 Bi1 As1
  • Reduced Formula: Ga2BiAs
  • Formula Anonymous: ABC2
  • Spacegroup Number: 115
  • Spacegroup Symbol: P-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -15.05283071
  • Final energy per atom: -3.7632076775
  • 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.