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  1. Third-Parties
  2. MatprojStructure
  3. mp-796331

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-796331
  • 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: 12
  • Number of elements: 2
  • Element list: ['Mo', 'O']
  • Chemical System: Mo-O
  • Density: 3.1476030347481605
  • Atomic Density: 0.06464350945534075
  • Unit Cell Volume: 185.63348588446073
  • Molar Volume: 9.315924848047462
  • Full Formula: Mo2 O10
  • Reduced Formula: MoO5
  • Formula Anonymous: AB5
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -78.53775495
  • Final energy per atom: -6.544812912499999
  • 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.