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  1. Third-Parties
  2. MatprojStructure
  3. mp-1103910

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-1103910
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 13
  • Number of elements: 3
  • Element list: ['Zr', 'Ga', 'Fe']
  • Chemical System: Fe-Ga-Zr
  • Density: 7.761284275235918
  • Atomic Density: 0.07193832381439101
  • Unit Cell Volume: 180.71035451898302
  • Molar Volume: 8.371255320790906
  • Full Formula: Zr1 Ga6 Fe6
  • Reduced Formula: Zr(GaFe)6
  • Formula Anonymous: AB6C6
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -81.53032535
  • Final energy per atom: -6.271563488461538
  • 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.