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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204475

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-1204475
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 6
  • Element list: ['Rb', 'Cu', 'H', 'C', 'N', 'O']
  • Chemical System: C-Cu-H-N-O-Rb
  • Density: 2.5821568195551396
  • Atomic Density: 0.06046171357423268
  • Unit Cell Volume: 793.890830452024
  • Molar Volume: 9.960254852198714
  • Full Formula: Rb4 Cu8 H8 C12 N12 O4
  • Reduced Formula: RbCu2H2C3N3O
  • Formula Anonymous: ABC2D2E3F3
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -311.65929854
  • Final energy per atom: -6.4929020529166666
  • 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.