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  1. Third-Parties
  2. MatprojStructure
  3. mp-24356

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-24356
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 4
  • Element list: ['Cd', 'H', 'N', 'Cl']
  • Chemical System: Cd-Cl-H-N
  • Density: 2.765874689154506
  • Atomic Density: 0.06330364226653569
  • Unit Cell Volume: 568.6876569980673
  • Molar Volume: 9.513103108102667
  • Full Formula: Cd4 H16 N4 Cl12
  • Reduced Formula: CdH4NCl3
  • Formula Anonymous: ABC3D4
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -150.04320062000002
  • Final energy per atom: -4.16786668388889
  • 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.