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  1. Third-Parties
  2. MatprojStructure
  3. mp-29246

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-29246
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:40 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Cd', 'P', 'Cl']
  • Chemical System: Cd-Cl-P
  • Density: 4.187901940975319
  • Atomic Density: 0.04284326192435578
  • Unit Cell Volume: 280.09071814343275
  • Molar Volume: 14.056214418576984
  • Full Formula: Cd4 P6 Cl2
  • Reduced Formula: Cd2P3Cl
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -45.34517544
  • Final energy per atom: -3.77876462
  • 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.