Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1206553

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-1206553
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 4
  • Element list: ['Rb', 'Li', 'Ru', 'Cl']
  • Chemical System: Cl-Li-Rb-Ru
  • Density: 3.0779539242190195
  • Atomic Density: 0.037700236687463175
  • Unit Cell Volume: 265.25032410009766
  • Molar Volume: 15.973747883664084
  • Full Formula: Rb2 Li1 Ru1 Cl6
  • Reduced Formula: Rb2LiRuCl6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -41.70371169
  • Final energy per atom: -4.170371169
  • 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.