Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1200298

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-1200298
  • 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: 136
  • Number of elements: 6
  • Element list: ['Rb', 'Au', 'C', 'S', 'O', 'F']
  • Chemical System: Au-C-F-O-Rb-S
  • Density: 2.462889361342578
  • Atomic Density: 0.057389012844507425
  • Unit Cell Volume: 2369.791590046774
  • Molar Volume: 10.49354303465139
  • Full Formula: Rb4 Au4 C16 S16 O48 F48
  • Reduced Formula: RbAuC4S4(OF)12
  • Formula Anonymous: ABC4D4E12F12
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -797.0073135800001
  • Final energy per atom: -5.860347893970589
  • 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.