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  1. Third-Parties
  2. MatprojStructure
  3. mp-727071

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-727071
  • 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: 52
  • Number of elements: 4
  • Element list: ['Re', 'Te', 'C', 'N']
  • Chemical System: C-N-Re-Te
  • Density: 3.284986949147186
  • Atomic Density: 0.022420059985860462
  • Unit Cell Volume: 2319.3515107807275
  • Molar Volume: 26.86050244200038
  • Full Formula: Re12 Te16 C12 N12
  • Reduced Formula: Re3Te4(CN)3
  • Formula Anonymous: A3B3C3D4
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -405.75466505
  • Final energy per atom: -7.802974327884616
  • 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.