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  1. Third-Parties
  2. MatprojStructure
  3. mp-1173479

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-1173479
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 5
  • Element list: ['Rb', 'Al', 'H', 'N', 'F']
  • Chemical System: Al-F-H-N-Rb
  • Density: 2.1703316609599876
  • Atomic Density: 0.09223846764106627
  • Unit Cell Volume: 607.1219680048952
  • Molar Volume: 6.528882053238742
  • Full Formula: Rb1 Al6 H20 N5 F24
  • Reduced Formula: RbAl6H20N5F24
  • Formula Anonymous: AB5C6D20E24
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -294.28175201
  • Final energy per atom: -5.255031285892857
  • 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.