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  1. Third-Parties
  2. MatprojStructure
  3. mp-1205099

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-1205099
  • 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', 'Br']
  • Chemical System: Al-Br-C-H-Te
  • Density: 2.523803607005162
  • Atomic Density: 0.04655997429270758
  • Unit Cell Volume: 1116.8391046157528
  • Molar Volume: 12.934158258208518
  • Full Formula: Al4 Te4 H24 C8 Br12
  • Reduced Formula: AlTeH6C2Br3
  • Formula Anonymous: ABC2D3E6
  • Spacegroup Number: 57
  • Spacegroup Symbol: Pbcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -231.29661722
  • Final energy per atom: -4.448011869615384
  • 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.