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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199826

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-1199826
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 4
  • Element list: ['Rh', 'C', 'N', 'Cl']
  • Chemical System: C-Cl-N-Rh
  • Density: 1.055997498202784
  • Atomic Density: 0.0251024946260408
  • Unit Cell Volume: 2071.507265499274
  • Molar Volume: 23.990208342691
  • Full Formula: Rh4 C12 N24 Cl12
  • Reduced Formula: RhC3(N2Cl)3
  • Formula Anonymous: AB3C3D6
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -329.07586394
  • Final energy per atom: -6.328381998846154
  • 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.