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  1. Third-Parties
  2. MatprojStructure
  3. mp-556834

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-556834
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 4
  • Element list: ['Ru', 'Cl', 'O', 'F']
  • Chemical System: Cl-F-O-Ru
  • Density: 2.9347523421471533
  • Atomic Density: 0.06255832670283813
  • Unit Cell Volume: 319.7016457138174
  • Molar Volume: 9.626441558461297
  • Full Formula: Ru2 Cl2 O4 F12
  • Reduced Formula: RuCl(OF3)2
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -95.84236183
  • Final energy per atom: -4.7921180915
  • 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.