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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204389

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-1204389
  • 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: 204
  • Number of elements: 7
  • Element list: ['Na', 'Ce', 'Mo', 'H', 'C', 'S', 'O']
  • Chemical System: C-Ce-H-Mo-Na-O-S
  • Density: 2.2895590913203447
  • Atomic Density: 0.07596140124665983
  • Unit Cell Volume: 2685.5744714026096
  • Molar Volume: 7.927895827573092
  • Full Formula: Na2 Ce2 Mo16 H80 C24 S12 O68
  • Reduced Formula: NaCeMo8H40C12(S3O17)2
  • Formula Anonymous: ABC6D8E12F34G40
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -1276.25489629
  • Final energy per atom: -6.256151452401961
  • 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.