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  1. Third-Parties
  2. MatprojStructure
  3. mp-23434

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-23434
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 3
  • Element list: ['Al', 'Cu', 'Cl']
  • Chemical System: Al-Cl-Cu
  • Density: 1.9915942714605617
  • Atomic Density: 0.03288940229050475
  • Unit Cell Volume: 668.9084771343338
  • Molar Volume: 18.310277294819088
  • Full Formula: Al4 Cu2 Cl16
  • Reduced Formula: Al2CuCl8
  • Formula Anonymous: AB2C8
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -89.88058192999999
  • Final energy per atom: -4.085480996818181
  • 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.