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  1. Third-Parties
  2. MatprojStructure
  3. mp-1222476

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-1222476
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 11
  • Number of elements: 3
  • Element list: ['Li', 'Ni', 'N']
  • Chemical System: Li-N-Ni
  • Density: 2.610307252344243
  • Atomic Density: 0.08600523283418476
  • Unit Cell Volume: 127.89919447352274
  • Molar Volume: 7.002063201910619
  • Full Formula: Li6 Ni2 N3
  • Reduced Formula: Li6Ni2N3
  • Formula Anonymous: A2B3C6
  • Spacegroup Number: 38
  • Spacegroup Symbol: Amm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -52.82515315
  • Final energy per atom: -4.80228665
  • 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.