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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195186

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-1195186
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 6
  • Element list: ['Rb', 'La', 'C', 'N', 'Cl', 'O']
  • Chemical System: C-Cl-La-N-O-Rb
  • Density: 3.6220789357070333
  • Atomic Density: 0.07373305619419832
  • Unit Cell Volume: 596.7472700997594
  • Molar Volume: 8.167491042469296
  • Full Formula: Rb2 La4 C12 N12 Cl2 O12
  • Reduced Formula: RbLa2C6N6ClO6
  • Formula Anonymous: ABC2D6E6F6
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m

Thermodynamics:

  • Final energy: -365.82450552
  • Final energy per atom: -8.314193307272728
  • 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.