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  1. Third-Parties
  2. MatprojStructure
  3. mp-541100

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-541100
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 6
  • Element list: ['Cs', 'Na', 'Mo', 'C', 'N', 'O']
  • Chemical System: C-Cs-Mo-N-Na-O
  • Density: 2.690301606892097
  • Atomic Density: 0.047404514579821935
  • Unit Cell Volume: 1350.0823828125865
  • Molar Volume: 12.703728354521251
  • Full Formula: Cs8 Na4 Mo4 C16 N28 O4
  • Reduced Formula: Cs2NaMoC4N7O
  • Formula Anonymous: ABCD2E4F7
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -477.55640668
  • Final energy per atom: -7.461818854375
  • 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.