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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197086

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-1197086
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 120
  • Number of elements: 5
  • Element list: ['Al', 'P', 'H', 'C', 'Cl']
  • Chemical System: Al-C-Cl-H-P
  • Density: 1.1244540768732794
  • Atomic Density: 0.07115658488270626
  • Unit Cell Volume: 1686.421575709496
  • Molar Volume: 8.463223424686317
  • Full Formula: Al4 P8 H72 C24 Cl12
  • Reduced Formula: AlP2H18(C2Cl)3
  • Formula Anonymous: AB2C3D6E18
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -601.1257116400001
  • Final energy per atom: -5.009380930333334
  • 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.