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  1. Third-Parties
  2. MatprojStructure
  3. mp-733678

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-733678
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 118
  • Number of elements: 3
  • Element list: ['Mo', 'P', 'O']
  • Chemical System: Mo-O-P
  • Density: 1.8733488181516882
  • Atomic Density: 0.03469938319420539
  • Unit Cell Volume: 3400.63681649838
  • Molar Volume: 17.35518100219622
  • Full Formula: Mo24 P2 O92
  • Reduced Formula: Mo12PO46
  • Formula Anonymous: AB12C46
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -898.19776543
  • Final energy per atom: -7.611845469745763
  • 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.