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  1. Third-Parties
  2. MatprojStructure
  3. mp-1202582

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-1202582
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 5
  • Element list: ['Mo', 'Rh', 'N', 'Cl', 'O']
  • Chemical System: Cl-Mo-N-O-Rh
  • Density: 2.8704970173276183
  • Atomic Density: 0.056318700735909145
  • Unit Cell Volume: 852.2923890784098
  • Molar Volume: 10.692968199389313
  • Full Formula: Mo4 Rh4 N20 Cl4 O16
  • Reduced Formula: MoRhN5ClO4
  • Formula Anonymous: ABCD4E5
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -297.50783482
  • Final energy per atom: -6.198079892083334
  • 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.