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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223188

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-1223188
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 7
  • Number of elements: 3
  • Element list: ['La', 'Si', 'Ni']
  • Chemical System: La-Ni-Si
  • Density: 5.680285975905447
  • Atomic Density: 0.04278484656516944
  • Unit Cell Volume: 163.60932811428157
  • Molar Volume: 14.07540576504613
  • Full Formula: La3 Si3 Ni1
  • Reduced Formula: La3Si3Ni
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 44
  • Spacegroup Symbol: Imm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -41.75500205
  • Final energy per atom: -5.965000292857143
  • 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.