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  1. Third-Parties
  2. MatprojStructure
  3. mp-28473

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-28473
  • 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: 10
  • Number of elements: 3
  • Element list: ['C', 'Cl', 'F']
  • Chemical System: C-Cl-F
  • Density: 1.918271964625471
  • Atomic Density: 0.055294966389963576
  • Unit Cell Volume: 180.84828787987237
  • Molar Volume: 10.890938458175937
  • Full Formula: C2 Cl2 F6
  • Reduced Formula: CClF3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -51.48228850000001
  • Final energy per atom: -5.148228850000001
  • 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.