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  1. Third-Parties
  2. MatprojStructure
  3. mp-1048241

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-1048241
  • 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: 30
  • Number of elements: 5
  • Element list: ['Al', 'Sb', 'Se', 'Cl', 'O']
  • Chemical System: Al-Cl-O-Sb-Se
  • Density: 4.535287106202038
  • Atomic Density: 0.0574082101810553
  • Unit Cell Volume: 522.57333760076
  • Molar Volume: 10.490033988182592
  • Full Formula: Al2 Sb6 Se4 Cl2 O16
  • Reduced Formula: AlSb3Se2ClO8
  • Formula Anonymous: ABC2D3E8
  • Spacegroup Number: 25
  • Spacegroup Symbol: Pmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -170.63449512
  • Final energy per atom: -5.687816504
  • 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.