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  1. Third-Parties
  2. MatprojStructure
  3. mp-1078349

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-1078349
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['La', 'Bi', 'N']
  • Chemical System: Bi-La-N
  • Density: 7.46273450824486
  • Atomic Density: 0.035896017227775724
  • Unit Cell Volume: 222.86595053809302
  • Molar Volume: 16.776626559394927
  • Full Formula: La4 Bi2 N2
  • Reduced Formula: La2BiN
  • Formula Anonymous: ABC2
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -55.00799751
  • Final energy per atom: -6.87599968875
  • 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.