Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-558536

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-558536
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 4
  • Element list: ['Rb', 'Cd', 'Au', 'S']
  • Chemical System: Au-Cd-Rb-S
  • Density: 5.293106003493912
  • Atomic Density: 0.034724989154763325
  • Unit Cell Volume: 575.9541035668414
  • Molar Volume: 17.342383414895682
  • Full Formula: Rb4 Cd4 Au4 S8
  • Reduced Formula: RbCdAuS2
  • Formula Anonymous: ABCD2
  • Spacegroup Number: 54
  • Spacegroup Symbol: Pcca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -71.7532111
  • Final energy per atom: -3.5876605550000003
  • 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.