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  1. Third-Parties
  2. MatprojStructure
  3. mp-560578

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-560578
  • 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: 40
  • Number of elements: 5
  • Element list: ['Rb', 'Te', 'N', 'O', 'F']
  • Chemical System: F-N-O-Rb-Te
  • Density: 3.4342121911763455
  • Atomic Density: 0.0589099793061062
  • Unit Cell Volume: 679.0021057748679
  • Molar Volume: 10.222615643281658
  • Full Formula: Rb4 Te4 N4 O12 F16
  • Reduced Formula: RbTeNO3F4
  • Formula Anonymous: ABCD3E4
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -218.3727896
  • Final energy per atom: -5.45931974
  • 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.