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  1. Third-Parties
  2. MatprojStructure
  3. mp-567743

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-567743
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 4
  • Element list: ['Al', 'Sb', 'Te', 'Cl']
  • Chemical System: Al-Cl-Sb-Te
  • Density: 3.6193566224073543
  • Atomic Density: 0.029387639964006607
  • Unit Cell Volume: 2450.00959887164
  • Molar Volume: 20.492087038550213
  • Full Formula: Al8 Sb16 Te16 Cl32
  • Reduced Formula: AlSb2(TeCl2)2
  • Formula Anonymous: AB2C2D4
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -294.03957996
  • Final energy per atom: -4.083883055
  • 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.