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  1. Third-Parties
  2. MatprojStructure
  3. mp-679984

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-679984
  • 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: 4
  • Element list: ['Cs', 'Ru', 'Cl', 'O']
  • Chemical System: Cl-Cs-O-Ru
  • Density: 3.3941526292971638
  • Atomic Density: 0.03146643756067334
  • Unit Cell Volume: 2161.032683438757
  • Molar Volume: 19.138298539159873
  • Full Formula: Cs16 Ru8 Cl40 O4
  • Reduced Formula: Cs4Ru2Cl10O
  • Formula Anonymous: AB2C4D10
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -298.65400341
  • Final energy per atom: -4.391970638382353
  • 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.