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  1. Third-Parties
  2. MatprojStructure
  3. mp-28463

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-28463
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 3
  • Element list: ['Li', 'Nb', 'Cl']
  • Chemical System: Cl-Li-Nb
  • Density: 3.159115824827707
  • Atomic Density: 0.04010223825486611
  • Unit Cell Volume: 1196.9406718632606
  • Molar Volume: 15.016969181936513
  • Full Formula: Li4 Nb12 Cl32
  • Reduced Formula: LiNb3Cl8
  • Formula Anonymous: AB3C8
  • Spacegroup Number: 64
  • Spacegroup Symbol: Cmce
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -272.56616496000004
  • Final energy per atom: -5.678461770000001
  • 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.