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  1. Third-Parties
  2. MatprojStructure
  3. mp-1118911

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-1118911
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 3
  • Element list: ['Cs', 'Ru', 'N']
  • Chemical System: Cs-N-Ru
  • Density: 5.3987463781525875
  • Atomic Density: 0.04963876957698982
  • Unit Cell Volume: 1611.6434932159198
  • Molar Volume: 12.131929963855468
  • Full Formula: Cs20 Ru20 N40
  • Reduced Formula: CsRuN2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -539.8360427700001
  • Final energy per atom: -6.747950534625001
  • 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.