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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223674

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-1223674
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 3
  • Element list: ['La', 'Si', 'Ni']
  • Chemical System: La-Ni-Si
  • Density: 6.1458155519570035
  • Atomic Density: 0.039332433818335615
  • Unit Cell Volume: 559.3348253406137
  • Molar Volume: 15.31087750077814
  • Full Formula: La12 Si6 Ni4
  • Reduced Formula: La6Si3Ni2
  • Formula Anonymous: A2B3C6
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -125.2634154
  • Final energy per atom: -5.693791609090909
  • 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.