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  1. Third-Parties
  2. MatprojStructure
  3. mp-1214384

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-1214384
  • 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: 42
  • Number of elements: 3
  • Element list: ['Ca', 'Ga', 'Sb']
  • Chemical System: Ca-Ga-Sb
  • Density: 4.260252469239939
  • Atomic Density: 0.033538695092201753
  • Unit Cell Volume: 1252.2848573725703
  • Molar Volume: 17.955799244557483
  • Full Formula: Ca22 Ga2 Sb18
  • Reduced Formula: Ca11GaSb9
  • Formula Anonymous: AB9C11
  • Spacegroup Number: 45
  • Spacegroup Symbol: Iba2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -168.91930908999998
  • Final energy per atom: -4.021888311666666
  • 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.