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  1. Third-Parties
  2. MatprojStructure
  3. mp-558897

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-558897
  • 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: 36
  • Number of elements: 5
  • Element list: ['Li', 'Mg', 'In', 'Mo', 'O']
  • Chemical System: In-Li-Mg-Mo-O
  • Density: 3.7055495955036912
  • Atomic Density: 0.06417814860207759
  • Unit Cell Volume: 560.9385871071171
  • Molar Volume: 9.383475359096057
  • Full Formula: Li2 Mg2 In2 Mo6 O24
  • Reduced Formula: LiMgIn(MoO4)3
  • Formula Anonymous: ABCD3E12
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -275.15508324
  • Final energy per atom: -7.643196756666667
  • 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.