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  1. Third-Parties
  2. MatprojStructure
  3. mp-605646

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-605646
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 3
  • Element list: ['Rb', 'Ba', 'N']
  • Chemical System: Ba-N-Rb
  • Density: 3.1781271865259977
  • Atomic Density: 0.06041579345231068
  • Unit Cell Volume: 595.8706812055141
  • Molar Volume: 9.967825324935255
  • Full Formula: Rb2 Ba4 N30
  • Reduced Formula: RbBa2N15
  • Formula Anonymous: AB2C15
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -276.58574825
  • Final energy per atom: -7.682937451388889
  • 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.