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  1. Third-Parties
  2. MatprojStructure
  3. mp-20881

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-20881
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 8
  • Number of elements: 4
  • Element list: ['La', 'Ni', 'B', 'N']
  • Chemical System: B-La-N-Ni
  • Density: 7.076401417704857
  • Atomic Density: 0.07664012699487105
  • Unit Cell Volume: 104.38396064421161
  • Molar Volume: 7.857686301071783
  • Full Formula: La2 Ni2 B2 N2
  • Reduced Formula: LaNiBN
  • Formula Anonymous: ABCD
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -59.81640206
  • Final energy per atom: -7.4770502575
  • 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.