Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1197319

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-1197319
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 5
  • Element list: ['Al', 'Bi', 'Ru', 'Br', 'Cl']
  • Chemical System: Al-Bi-Br-Cl-Ru
  • Density: 5.179671345689993
  • Atomic Density: 0.03026467578504186
  • Unit Cell Volume: 2643.34568023159
  • Molar Volume: 19.898249704615733
  • Full Formula: Al8 Bi28 Ru4 Br8 Cl32
  • Reduced Formula: Al2Bi7Ru(BrCl4)2
  • Formula Anonymous: AB2C2D7E8
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -336.85306224
  • Final energy per atom: -4.210663278
  • 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.