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  1. Third-Parties
  2. MatprojStructure
  3. mp-1103827

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-1103827
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 3
  • Element list: ['Cu', 'N', 'F']
  • Chemical System: Cu-F-N
  • Density: 2.723905094345663
  • Atomic Density: 0.06853125311566832
  • Unit Cell Volume: 204.286356421508
  • Molar Volume: 8.78743709798465
  • Full Formula: Cu2 N4 F8
  • Reduced Formula: Cu(NF2)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 64
  • Spacegroup Symbol: Cmce
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -50.29672304
  • Final energy per atom: -3.5926230742857146
  • 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.