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  1. Third-Parties
  2. MatprojStructure
  3. mp-504158

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-504158
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 4
  • Element list: ['Li', 'Mo', 'P', 'O']
  • Chemical System: Li-Mo-O-P
  • Density: 2.994578102643472
  • Atomic Density: 0.08753032804190863
  • Unit Cell Volume: 365.587570798075
  • Molar Volume: 6.880061910788979
  • Full Formula: Li8 Mo2 P4 O18
  • Reduced Formula: Li4MoP2O9
  • Formula Anonymous: AB2C4D9
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -229.88689195
  • Final energy per atom: -7.1839653734375
  • 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.