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  1. Third-Parties
  2. MatprojStructure
  3. mp-570738

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-570738
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 2
  • Element list: ['Ga', 'I']
  • Chemical System: Ga-I
  • Density: 3.91128889686255
  • Atomic Density: 0.021841119270701315
  • Unit Cell Volume: 1648.2671768700088
  • Molar Volume: 27.572491525552802
  • Full Formula: Ga12 I24
  • Reduced Formula: GaI2
  • Formula Anonymous: AB2
  • Spacegroup Number: 161
  • Spacegroup Symbol: R3cH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -99.11178016
  • Final energy per atom: -2.7531050044444445
  • 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.