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  1. Third-Parties
  2. MatprojStructure
  3. mp-1225943

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-1225943
  • 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: 13
  • Number of elements: 3
  • Element list: ['Gd', 'Al', 'Cr']
  • Chemical System: Al-Cr-Gd
  • Density: 5.131395158949082
  • Atomic Density: 0.06365325844722307
  • Unit Cell Volume: 204.23149289016698
  • Molar Volume: 9.460852290842498
  • Full Formula: Gd1 Al6 Cr6
  • Reduced Formula: Gd(AlCr)6
  • Formula Anonymous: AB6C6
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -90.42127206
  • Final energy per atom: -6.955482466153847
  • 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.