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  1. Third-Parties
  2. MatprojStructure
  3. mp-35899

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-35899
  • 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: 8
  • Number of elements: 3
  • Element list: ['Li', 'Mo', 'O']
  • Chemical System: Li-Mo-O
  • Density: 5.261899160400431
  • Atomic Density: 0.09397373786084462
  • Unit Cell Volume: 85.13016702439059
  • Molar Volume: 6.4083231092898805
  • Full Formula: Li2 Mo2 O4
  • Reduced Formula: LiMoO2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 58
  • Spacegroup Symbol: Pnnm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -60.79112722
  • Final energy per atom: -7.5988909025
  • 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.