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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198330

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-1198330
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 57
  • Number of elements: 4
  • Element list: ['Cu', 'C', 'N', 'F']
  • Chemical System: C-Cu-F-N
  • Density: 1.989740742129546
  • Atomic Density: 0.07905885254447362
  • Unit Cell Volume: 720.9818782524743
  • Molar Volume: 7.617288344290496
  • Full Formula: Cu1 C32 N8 F16
  • Reduced Formula: CuC32(NF2)8
  • Formula Anonymous: AB8C16D32
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -426.47235672
  • Final energy per atom: -7.481971170526315
  • 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.