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  1. Third-Parties
  2. MatprojStructure
  3. mp-1222980

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-1222980
  • 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: 24
  • Number of elements: 3
  • Element list: ['Lu', 'Ga', 'Ni']
  • Chemical System: Ga-Lu-Ni
  • Density: 9.980595650860407
  • Atomic Density: 0.06639978247586814
  • Unit Cell Volume: 361.4469672204482
  • Molar Volume: 9.069518807819353
  • Full Formula: Lu6 Ga6 Ni12
  • Reduced Formula: LuGaNi2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -125.74799035
  • Final energy per atom: -5.239499597916667
  • 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.