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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204843

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-1204843
  • 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: 68
  • Number of elements: 6
  • Element list: ['Rb', 'C', 'S', 'N', 'O', 'F']
  • Chemical System: C-F-N-O-Rb-S
  • Density: 2.3386329670487007
  • Atomic Density: 0.06273911196676647
  • Unit Cell Volume: 1083.8534028983431
  • Molar Volume: 9.598702581557081
  • Full Formula: Rb4 C8 S8 N4 O20 F24
  • Reduced Formula: RbC2S2NO5F6
  • Formula Anonymous: ABC2D2E5F6
  • Spacegroup Number: 82
  • Spacegroup Symbol: I-4
  • Crystal System: tetragonal
  • Pointgroup: -4

Thermodynamics:

  • Final energy: -387.17704569
  • Final energy per atom: -5.6937800836764705
  • 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.