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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196941

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-1196941
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 5
  • Element list: ['Al', 'Te', 'H', 'C', 'Cl']
  • Chemical System: Al-C-Cl-H-Te
  • Density: 1.8782308942966808
  • Atomic Density: 0.05052844703128737
  • Unit Cell Volume: 1029.1232573960058
  • Molar Volume: 11.918317529670112
  • Full Formula: Al4 Te4 H24 C8 Cl12
  • Reduced Formula: AlTeH6C2Cl3
  • Formula Anonymous: ABC2D3E6
  • Spacegroup Number: 57
  • Spacegroup Symbol: Pbcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -240.69002606000004
  • Final energy per atom: -4.628654347307693
  • 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.