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  1. Third-Parties
  2. MatprojStructure
  3. mp-866658

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-866658
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 31
  • Number of elements: 5
  • Element list: ['H', 'Rh', 'N', 'Cl', 'O']
  • Chemical System: Cl-H-N-O-Rh
  • Density: 2.1291538235895953
  • Atomic Density: 0.08837253888085338
  • Unit Cell Volume: 350.7877038793145
  • Molar Volume: 6.8144933214142895
  • Full Formula: H16 Rh1 N5 Cl6 O3
  • Reduced Formula: H16RhN5(Cl2O)3
  • Formula Anonymous: AB3C5D6E16
  • Spacegroup Number: 155
  • Spacegroup Symbol: R32H
  • Crystal System: trigonal
  • Pointgroup: 32

Thermodynamics:

  • Final energy: -154.78411171000002
  • Final energy per atom: -4.993035861612904
  • 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.