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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196459

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-1196459
  • 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: 176
  • Number of elements: 4
  • Element list: ['Al', 'Sb', 'Se', 'Br']
  • Chemical System: Al-Br-Sb-Se
  • Density: 3.880584647091189
  • Atomic Density: 0.027705918612095204
  • Unit Cell Volume: 6352.433300051854
  • Molar Volume: 21.735936080354307
  • Full Formula: Al16 Sb40 Se48 Br72
  • Reduced Formula: Al2Sb5(Se2Br3)3
  • Formula Anonymous: A2B5C6D9
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -689.0520045400001
  • Final energy per atom: -3.9150682076136367
  • 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.