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  1. Third-Parties
  2. MatprojStructure
  3. mp-559071

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-559071
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 4
  • Element list: ['Ag', 'Bi', 'S', 'Cl']
  • Chemical System: Ag-Bi-Cl-S
  • Density: 5.894385992000153
  • Atomic Density: 0.03989412055980856
  • Unit Cell Volume: 902.3886100216055
  • Molar Volume: 15.095308971585707
  • Full Formula: Ag8 Bi8 S12 Cl8
  • Reduced Formula: Ag2Bi2S3Cl2
  • Formula Anonymous: A2B2C2D3
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -145.23970059
  • Final energy per atom: -4.0344361275
  • 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.