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  1. Third-Parties
  2. MatprojStructure
  3. mp-1104869

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-1104869
  • 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: 15
  • Number of elements: 4
  • Element list: ['Cd', 'Re', 'N', 'O']
  • Chemical System: Cd-N-O-Re
  • Density: 3.766612223715828
  • Atomic Density: 0.05087053318784141
  • Unit Cell Volume: 294.86618401682404
  • Molar Volume: 11.83817110342251
  • Full Formula: Cd1 Re2 N4 O8
  • Reduced Formula: CdRe2(NO2)4
  • Formula Anonymous: AB2C4D8
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -97.1432051
  • Final energy per atom: -6.4762136733333335
  • 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.