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  1. Third-Parties
  2. MatprojStructure
  3. mp-630880

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-630880
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 5
  • Element list: ['Li', 'Nd', 'Tl', 'Mo', 'O']
  • Chemical System: Li-Mo-Nd-O-Tl
  • Density: 5.3451734443136125
  • Atomic Density: 0.06779337344407704
  • Unit Cell Volume: 708.0338027373035
  • Molar Volume: 8.883081714421072
  • Full Formula: Li2 Nd4 Tl2 Mo8 O32
  • Reduced Formula: LiNd2Tl(MoO4)4
  • Formula Anonymous: ABC2D4E16
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -389.29474912
  • Final energy per atom: -8.110307273333333
  • 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.