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  1. Third-Parties
  2. MatprojStructure
  3. mp-1078491

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-1078491
  • 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: 10
  • Number of elements: 4
  • Element list: ['La', 'Fe', 'As', 'N']
  • Chemical System: As-Fe-La-N
  • Density: 7.541014699519053
  • Atomic Density: 0.06687757385797556
  • Unit Cell Volume: 149.52695534734082
  • Molar Volume: 9.00472372515921
  • Full Formula: La2 Fe4 As2 N2
  • Reduced Formula: LaFe2AsN
  • Formula Anonymous: ABCD2
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -77.32094194
  • Final energy per atom: -7.732094194
  • 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.