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  1. Third-Parties
  2. MatprojStructure
  3. mp-1248520

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-1248520
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 3
  • Element list: ['Al', 'Bi', 'S']
  • Chemical System: Al-Bi-S
  • Density: 4.000697936581011
  • Atomic Density: 0.042023650838978716
  • Unit Cell Volume: 1903.6899080123856
  • Molar Volume: 14.330360736802549
  • Full Formula: Al20 Bi12 S48
  • Reduced Formula: Al5(BiS4)3
  • Formula Anonymous: A3B5C12
  • Spacegroup Number: 37
  • Spacegroup Symbol: Ccc2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -397.5141197
  • Final energy per atom: -4.96892649625
  • 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.