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  1. Third-Parties
  2. MatprojStructure
  3. mp-31237

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-31237
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 3
  • Element list: ['Cu', 'As', 'F']
  • Chemical System: As-Cu-F
  • Density: 3.3692540419501564
  • Atomic Density: 0.06727087070551163
  • Unit Cell Volume: 267.5749519996212
  • Molar Volume: 8.9520779155109
  • Full Formula: Cu2 As2 F14
  • Reduced Formula: CuAsF7
  • Formula Anonymous: ABC7
  • Spacegroup Number: 74
  • Spacegroup Symbol: Imma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -83.92253452
  • Final energy per atom: -4.662363028888889
  • 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.