Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-557484

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-557484
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 4
  • Element list: ['Bi', 'S', 'N', 'Cl']
  • Chemical System: Bi-Cl-N-S
  • Density: 2.668926526866083
  • Atomic Density: 0.03701439142178451
  • Unit Cell Volume: 648.3964500865736
  • Molar Volume: 16.26972787794025
  • Full Formula: Bi2 S8 N6 Cl8
  • Reduced Formula: BiS4N3Cl4
  • Formula Anonymous: AB3C4D4
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -116.04051592000002
  • Final energy per atom: -4.835021496666667
  • 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.