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  1. Third-Parties
  2. MatprojStructure
  3. mp-866714

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-866714
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 3
  • Element list: ['La', 'Ni', 'Br']
  • Chemical System: Br-La-Ni
  • Density: 5.469885839927629
  • Atomic Density: 0.03224387148308477
  • Unit Cell Volume: 868.3820742397168
  • Molar Volume: 18.676853873329804
  • Full Formula: La12 Ni4 Br12
  • Reduced Formula: La3NiBr3
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 98
  • Spacegroup Symbol: I4_122
  • Crystal System: tetragonal
  • Pointgroup: 422

Thermodynamics:

  • Final energy: -145.04262776
  • Final energy per atom: -5.1800938485714285
  • 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.