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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223258

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-1223258
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['La', 'Si', 'Ni']
  • Chemical System: La-Ni-Si
  • Density: 5.535441796977524
  • Atomic Density: 0.04753561621614682
  • Unit Cell Volume: 126.22114695468974
  • Molar Volume: 12.668691897496451
  • Full Formula: La2 Si3 Ni1
  • Reduced Formula: La2Si3Ni
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2

Thermodynamics:

  • Final energy: -36.14775987
  • Final energy per atom: -6.024626645000001
  • 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.