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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198675

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-1198675
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 84
  • Number of elements: 5
  • Element list: ['Cs', 'Ru', 'C', 'Cl', 'O']
  • Chemical System: C-Cl-Cs-O-Ru
  • Density: 2.5137193213380193
  • Atomic Density: 0.05045732221167776
  • Unit Cell Volume: 1664.7732443589562
  • Molar Volume: 11.93511763215656
  • Full Formula: Cs4 Ru8 C32 Cl8 O32
  • Reduced Formula: CsRu2C8(ClO4)2
  • Formula Anonymous: AB2C2D8E8
  • Spacegroup Number: 86
  • Spacegroup Symbol: P4_2/n
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -553.35477622
  • Final energy per atom: -6.5875568597619045
  • 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.