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  1. Third-Parties
  2. MatprojStructure
  3. mp-728420

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-728420
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 116
  • Number of elements: 5
  • Element list: ['Mo', 'H', 'C', 'N', 'O']
  • Chemical System: C-H-Mo-N-O
  • Density: 1.9983709124350053
  • Atomic Density: 0.06673226262487324
  • Unit Cell Volume: 1738.2896283927755
  • Molar Volume: 9.024331744680504
  • Full Formula: Mo8 H20 C20 N12 O56
  • Reduced Formula: Mo2H5C5N3O14
  • Formula Anonymous: A2B3C5D5E14
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -776.9583588099999
  • Final energy per atom: -6.697916886293103
  • 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.