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  1. Third-Parties
  2. MatprojStructure
  3. mp-1412716

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-1412716
  • 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: 14
  • Number of elements: 2
  • Element list: ['Mo', 'O']
  • Chemical System: Mo-O
  • Density: 4.275530985374154
  • Atomic Density: 0.06629282579472993
  • Unit Cell Volume: 211.18423950352943
  • Molar Volume: 9.084151547027192
  • Full Formula: Mo4 O10
  • Reduced Formula: Mo2O5
  • Formula Anonymous: A2B5
  • Spacegroup Number: 59
  • Spacegroup Symbol: Pmmn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -119.30374147
  • Final energy per atom: -8.521695819285714
  • 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.