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  1. Third-Parties
  2. MatprojStructure
  3. mp-18987

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-18987
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 4
  • Element list: ['Li', 'Mo', 'P', 'O']
  • Chemical System: Li-Mo-O-P
  • Density: 3.156847265611529
  • Atomic Density: 0.07554277079240289
  • Unit Cell Volume: 291.2257489264939
  • Molar Volume: 7.971829331689842
  • Full Formula: Li2 Mo2 P4 O14
  • Reduced Formula: LiMoP2O7
  • Formula Anonymous: ABC2D7
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -173.26462293
  • Final energy per atom: -7.8756646786363635
  • 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.