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  1. Third-Parties
  2. MatprojStructure
  3. mp-561350

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-561350
  • 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: 28
  • Number of elements: 4
  • Element list: ['Al', 'Bi', 'S', 'Cl']
  • Chemical System: Al-Bi-Cl-S
  • Density: 3.256818015369465
  • Atomic Density: 0.03349879739202902
  • Unit Cell Volume: 835.8509015210963
  • Molar Volume: 17.977184940474785
  • Full Formula: Al4 Bi4 S4 Cl16
  • Reduced Formula: AlBiSCl4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 82
  • Spacegroup Symbol: I-4
  • Crystal System: tetragonal
  • Pointgroup: -4

Thermodynamics:

  • Final energy: -120.91868809
  • Final energy per atom: -4.318524574642857
  • 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.