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  1. Third-Parties
  2. MatprojStructure
  3. mp-28160

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-28160
  • 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: 16
  • Number of elements: 3
  • Element list: ['Ca', 'C', 'Cl']
  • Chemical System: C-Ca-Cl
  • Density: 2.5008242051849963
  • Atomic Density: 0.05303579228204059
  • Unit Cell Volume: 301.6830580169922
  • Molar Volume: 11.354861501784837
  • Full Formula: Ca6 C6 Cl4
  • Reduced Formula: Ca3C3Cl2
  • Formula Anonymous: A2B3C3
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -93.52359267
  • Final energy per atom: -5.845224541875
  • 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.