Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-683929

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-683929
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 54
  • Number of elements: 5
  • Element list: ['Cs', 'Re', 'C', 'S', 'N']
  • Chemical System: C-Cs-N-Re-S
  • Density: 4.912685192286739
  • Atomic Density: 0.03912733797625163
  • Unit Cell Volume: 1380.109222681475
  • Molar Volume: 15.391133339188942
  • Full Formula: Cs8 Re12 C8 S18 N8
  • Reduced Formula: Cs4Re6C4S9N4
  • Formula Anonymous: A4B4C4D6E9
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -413.73169387
  • Final energy per atom: -7.66169803462963
  • 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.