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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199378

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-1199378
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 4
  • Element list: ['Rh', 'N', 'Cl', 'O']
  • Chemical System: Cl-N-O-Rh
  • Density: 1.4564226841192467
  • Atomic Density: 0.025821066242749168
  • Unit Cell Volume: 1704.0349761836683
  • Molar Volume: 23.322587469412042
  • Full Formula: Rh4 N12 Cl24 O4
  • Reduced Formula: RhN3Cl6O
  • Formula Anonymous: ABC3D6
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -178.13341444999998
  • Final energy per atom: -4.048486692045454
  • 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.