Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-568508

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-568508
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 4
  • Element list: ['Cs', 'Rb', 'Mn', 'Cl']
  • Chemical System: Cl-Cs-Mn-Rb
  • Density: 3.1848663904601304
  • Atomic Density: 0.03545447613234584
  • Unit Cell Volume: 2256.414668245919
  • Molar Volume: 16.985558431382035
  • Full Formula: Cs8 Rb8 Mn16 Cl48
  • Reduced Formula: CsRb(MnCl3)2
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm

Thermodynamics:

  • Final energy: -397.59934161
  • Final energy per atom: -4.9699917701250005
  • 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.