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  1. Third-Parties
  2. MatprojStructure
  3. mp-685609

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-685609
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 62
  • Number of elements: 3
  • Element list: ['Cs', 'Mo', 'N']
  • Chemical System: Cs-Mo-N
  • Density: 4.754377923487795
  • Atomic Density: 0.04196990809314026
  • Unit Cell Volume: 1477.248886569126
  • Molar Volume: 14.348710858826692
  • Full Formula: Cs20 Mo12 N30
  • Reduced Formula: Cs10(Mo2N5)3
  • Formula Anonymous: A6B10C15
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -434.63979996
  • Final energy per atom: -7.010319354193548
  • 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.