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  1. Third-Parties
  2. MatprojStructure
  3. mp-1245517

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-1245517
  • 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: 64
  • Number of elements: 3
  • Element list: ['Li', 'Re', 'N']
  • Chemical System: Li-N-Re
  • Density: 7.221054455409046
  • Atomic Density: 0.0786506259792646
  • Unit Cell Volume: 813.7252463428952
  • Molar Volume: 7.656824958504046
  • Full Formula: Li16 Re16 N32
  • Reduced Formula: LiReN2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -521.85877122
  • Final energy per atom: -8.1540433003125
  • 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.