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  1. Third-Parties
  2. MatprojStructure
  3. mp-505281

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-505281
  • 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: 32
  • Number of elements: 5
  • Element list: ['Cs', 'Sb', 'S', 'O', 'F']
  • Chemical System: Cs-F-O-S-Sb
  • Density: 2.6131474597813393
  • Atomic Density: 0.059311535631109726
  • Unit Cell Volume: 539.5240514261033
  • Molar Volume: 10.153405565917101
  • Full Formula: Cs1 Sb1 S6 O18 F6
  • Reduced Formula: CsSbS6(O3F)6
  • Formula Anonymous: ABC6D6E18
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -192.29885905
  • Final energy per atom: -6.0093393453125
  • 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.