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  1. Third-Parties
  2. MatprojStructure
  3. mp-1221593

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-1221593
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 15
  • Number of elements: 3
  • Element list: ['Mo', 'P', 'O']
  • Chemical System: Mo-O-P
  • Density: 3.262993753828498
  • Atomic Density: 0.06857579492109613
  • Unit Cell Volume: 218.736071776625
  • Molar Volume: 8.781729423521993
  • Full Formula: Mo2 P2 O11
  • Reduced Formula: Mo2P2O11
  • Formula Anonymous: A2B2C11
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -116.93693572
  • Final energy per atom: -7.795795714666666
  • 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.