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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195160

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-1195160
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 34
  • Number of elements: 5
  • Element list: ['Al', 'Cu', 'Bi', 'S', 'Cl']
  • Chemical System: Al-Bi-Cl-Cu-S
  • Density: 3.6679173467040074
  • Atomic Density: 0.038362767445330355
  • Unit Cell Volume: 886.2759979048017
  • Molar Volume: 15.69787885762406
  • Full Formula: Al4 Cu4 Bi4 S6 Cl16
  • Reduced Formula: Al2Cu2Bi2S3Cl8
  • Formula Anonymous: A2B2C2D3E8
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m

Thermodynamics:

  • Final energy: -147.21482393000002
  • Final energy per atom: -4.329847762647059
  • 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.