Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-559540

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-559540
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 5
  • Element list: ['Rb', 'Zn', 'S', 'Cl', 'O']
  • Chemical System: Cl-O-Rb-S-Zn
  • Density: 3.0649418002076487
  • Atomic Density: 0.05228897363650517
  • Unit Cell Volume: 611.9837085052178
  • Molar Volume: 11.517037610766346
  • Full Formula: Rb4 Zn4 S4 Cl4 O16
  • Reduced Formula: RbZnSClO4
  • Formula Anonymous: ABCDE4
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -177.26821259000002
  • Final energy per atom: -5.539631643437501
  • 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.