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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201300

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-1201300
  • 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: 56
  • Number of elements: 5
  • Element list: ['Re', 'Rh', 'Br', 'N', 'Cl']
  • Chemical System: Br-Cl-N-Re-Rh
  • Density: 3.8991157736235182
  • Atomic Density: 0.037611634534762045
  • Unit Cell Volume: 1488.9009928096252
  • Molar Volume: 16.011377422148772
  • Full Formula: Re4 Rh4 Br24 N20 Cl4
  • Reduced Formula: ReRhBr6N5Cl
  • Formula Anonymous: ABCD5E6
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -230.94676786
  • Final energy per atom: -4.124049426071428
  • 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.