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  1. Third-Parties
  2. MatprojStructure
  3. mp-1250779

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-1250779
  • 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: 30
  • Number of elements: 5
  • Element list: ['Al', 'Sn', 'Se', 'Cl', 'O']
  • Chemical System: Al-Cl-O-Se-Sn
  • Density: 3.478047562234832
  • Atomic Density: 0.044597362101461153
  • Unit Cell Volume: 672.68552637146
  • Molar Volume: 13.50335642341208
  • Full Formula: Al2 Sn6 Se4 Cl2 O16
  • Reduced Formula: AlSn3Se2ClO8
  • Formula Anonymous: ABC2D3E8
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -180.0380673
  • Final energy per atom: -6.001268909999999
  • 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.