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  1. Third-Parties
  2. MatprojStructure
  3. mp-647192

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-647192
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 132
  • Number of elements: 2
  • Element list: ['C', 'Cl']
  • Chemical System: C-Cl
  • Density: 1.9191401160572095
  • Atomic Density: 0.07426367654522065
  • Unit Cell Volume: 1777.450378714048
  • Molar Volume: 8.109133617069169
  • Full Formula: C112 Cl20
  • Reduced Formula: C28Cl5
  • Formula Anonymous: A5B28
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -1048.86193277
  • Final energy per atom: -7.945923733106061
  • 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.