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  1. Third-Parties
  2. MatprojStructure
  3. mp-1194539

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-1194539
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 34
  • Number of elements: 5
  • Element list: ['Al', 'Ag', 'Bi', 'S', 'Cl']
  • Chemical System: Ag-Al-Bi-Cl-S
  • Density: 3.653851771334378
  • Atomic Density: 0.0350421945167889
  • Unit Cell Volume: 970.2588684538698
  • Molar Volume: 17.185398469022143
  • Full Formula: Al4 Ag4 Bi4 S6 Cl16
  • Reduced Formula: Al2Ag2Bi2S3Cl8
  • Formula Anonymous: A2B2C2D3E8
  • Spacegroup Number: 190
  • Spacegroup Symbol: P-62c
  • Crystal System: hexagonal
  • Pointgroup: -62m

Thermodynamics:

  • Final energy: -142.13328453999998
  • Final energy per atom: -4.180390721764705
  • 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.