Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-723282

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-723282
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 6
  • Element list: ['Cs', 'C', 'S', 'N', 'O', 'F']
  • Chemical System: C-Cs-F-N-O-S
  • Density: 1.8158330347064102
  • Atomic Density: 0.046310185129741686
  • Unit Cell Volume: 863.7408787707673
  • Molar Volume: 13.00392288030914
  • Full Formula: Cs2 C8 S8 N16 O4 F2
  • Reduced Formula: CsC4S4N8O2F
  • Formula Anonymous: ABC2D4E4F8
  • Spacegroup Number: 72
  • Spacegroup Symbol: Ibam
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -254.27980299
  • Final energy per atom: -6.35699507475
  • 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.