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  1. Third-Parties
  2. MatprojStructure
  3. mp-568793

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-568793
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 39
  • Number of elements: 2
  • Element list: ['Ca', 'Ga']
  • Chemical System: Ca-Ga
  • Density: 2.5855165288234203
  • Atomic Density: 0.03214395963295507
  • Unit Cell Volume: 1213.2917178011849
  • Molar Volume: 18.734906429592137
  • Full Formula: Ca28 Ga11
  • Reduced Formula: Ca28Ga11
  • Formula Anonymous: A11B28
  • Spacegroup Number: 44
  • Spacegroup Symbol: Imm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -100.21285433
  • Final energy per atom: -2.5695603674358973
  • 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.