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  1. Third-Parties
  2. MatprojStructure
  3. mp-1105760

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-1105760
  • 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: 20
  • Number of elements: 3
  • Element list: ['Rb', 'La', 'N']
  • Chemical System: La-N-Rb
  • Density: 2.7540787218407536
  • Atomic Density: 0.03459994140132051
  • Unit Cell Volume: 578.0356610441166
  • Molar Volume: 17.405060575536595
  • Full Formula: Rb6 La2 N12
  • Reduced Formula: Rb3LaN6
  • Formula Anonymous: AB3C6
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -90.33359309999996
  • Final energy per atom: -4.516679654999998
  • 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.