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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204489

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-1204489
  • 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: 40
  • Number of elements: 5
  • Element list: ['Al', 'Sb', 'Te', 'Br', 'Cl']
  • Chemical System: Al-Br-Cl-Sb-Te
  • Density: 4.007259827297965
  • Atomic Density: 0.0322875521431084
  • Unit Cell Volume: 1238.8675308275974
  • Molar Volume: 18.651586634093576
  • Full Formula: Al4 Sb8 Te8 Br4 Cl16
  • Reduced Formula: AlSb2Te2BrCl4
  • Formula Anonymous: ABC2D2E4
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -158.76096177000002
  • Final energy per atom: -3.9690240442500007
  • 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.