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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197837

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-1197837
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 120
  • Number of elements: 5
  • Element list: ['Al', 'H', 'C', 'N', 'Cl']
  • Chemical System: Al-C-Cl-H-N
  • Density: 1.0650315477122803
  • Atomic Density: 0.07648763205332372
  • Unit Cell Volume: 1568.8810959181142
  • Molar Volume: 7.873352329434955
  • Full Formula: Al4 H72 C24 N8 Cl12
  • Reduced Formula: AlH18C6N2Cl3
  • Formula Anonymous: AB2C3D6E18
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -623.8152937599999
  • Final energy per atom: -5.198460781333333
  • 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.