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  1. Third-Parties
  2. MatprojStructure
  3. mp-676450

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-676450
  • 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: 27
  • Number of elements: 3
  • Element list: ['Li', 'U', 'Br']
  • Chemical System: Br-Li-U
  • Density: 3.8078290826358003
  • Atomic Density: 0.02821984042881411
  • Unit Cell Volume: 956.7736595856659
  • Molar Volume: 21.34009501290816
  • Full Formula: Li6 U3 Br18
  • Reduced Formula: Li2UBr6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -121.75414492999998
  • Final energy per atom: -4.509412775185185
  • 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.